#------------------------------------------------------------------------------
#$Date: 2022-02-18 05:23:13 +0200 (Fri, 18 Feb 2022) $
#$Revision: 273020 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/63/1566375.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_1566375
loop_
_publ_author_name
'Schollmeyer, Dieter'
'Detert, Heiner'
_publ_section_title
;
 13,13'-Bi(dibenzo[a,i]fluorenylidene)
;
_journal_coeditor_code           BT4120
_journal_issue                   2
_journal_name_full               IUCrData
_journal_page_first              x220169
_journal_paper_doi               10.1107/S2414314622001699
_journal_volume                  7
_journal_year                    2022
_chemical_formula_iupac          'C42 H24'
_chemical_formula_moiety         'C42 H24'
_chemical_formula_sum            'C42 H24'
_chemical_formula_weight         528.61
_chemical_name_systematic
;
13,13'-Bi(dibenzo[b,i]fluorenylidene)
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_creation_method           SHELXL-2018/3
_cell_angle_alpha                90
_cell_angle_beta                 90.863(5)
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   36.6150(18)
_cell_length_b                   8.0709(3)
_cell_length_c                   36.282(3)
_cell_measurement_reflns_used    16781
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      28.37
_cell_measurement_theta_min      2.23
_cell_volume                     10720.7(11)
_computing_cell_refinement
;
X-Area Recipe (Stoe & Cie, 2019)
;
_computing_data_collection
;
X-Area WinXpose (Stoe & Cie, 2019)
;
_computing_data_reduction
;
X-Area Integrate (Stoe & Cie, 2019)
;
_computing_molecular_graphics
;
PLATON (Spek, 2020)
;
_computing_structure_refinement
;
SHELXL2018/3 (Sheldrick, 2015b)
;
_computing_structure_solution
;
SHELXT2014 (Sheldrick, 2015a)
;
_diffrn_ambient_temperature      120(2)
_diffrn_detector_area_resol_mean 6.67
_diffrn_measured_fraction_theta_full 0.973
_diffrn_measured_fraction_theta_max 0.967
_diffrn_measurement_device_type  'Stoe IPDS 2T'
_diffrn_measurement_method       'rotation method'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_unetI/netI     0.0580
_diffrn_reflns_limit_h_max       48
_diffrn_reflns_limit_h_min       -48
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       47
_diffrn_reflns_limit_l_min       -47
_diffrn_reflns_number            41460
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.028
_diffrn_reflns_theta_min         2.225
_diffrn_source
'sealed X-ray tube, 12 x 0.4 mm long-fine focus'
_exptl_absorpt_coefficient_mu    0.074
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.310
_exptl_crystal_description       block
_exptl_crystal_F_000             4416
_exptl_crystal_size_max          0.280
_exptl_crystal_size_mid          0.220
_exptl_crystal_size_min          0.150
_refine_diff_density_max         0.322
_refine_diff_density_min         -0.328
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     758
_refine_ls_number_reflns         41460
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.033
_refine_ls_R_factor_all          0.1459
_refine_ls_R_factor_gt           0.0723
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0953P)²+14.3038P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1820
_refine_ls_wR_factor_ref         0.2281
_reflns_number_gt                22495
_reflns_number_total             41460
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            bt4120sup1.cif
_cod_data_source_block           I
_cod_original_cell_volume        10720.8(10)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               1566375
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.979
_shelx_estimated_absorpt_t_max   0.989
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C C1A 0.07601(11) 0.8616(4) 0.43505(10) 0.0313(8) Uani d 1 . .
C C2A 0.04302(11) 0.8118(5) 0.45484(10) 0.0325(8) Uani d 1 . .
C C3A 0.00551(11) 0.8345(5) 0.44590(11) 0.0330(9) Uani d 1 . .
C C4A -0.00823(11) 0.9106(5) 0.41312(11) 0.0338(9) Uani d 1 . .
H H4A 0.008442 0.946696 0.394983 0.041 Uiso calc 1 . .
C C5A -0.04480(11) 0.9328(5) 0.40715(11) 0.0374(9) Uani d 1 . .
H H5A -0.053143 0.983644 0.384954 0.045 Uiso calc 1 . .
C C6A -0.07020(12) 0.8817(5) 0.43333(11) 0.0423(10) Uani d 1 . .
H H6A -0.095587 0.897193 0.428726 0.051 Uiso calc 1 . .
C C7A -0.05844(12) 0.8094(6) 0.46557(12) 0.0438(10) Uani d 1 . .
H H7A -0.075778 0.773964 0.483114 0.053 Uiso calc 1 . .
C C8A -0.02062(13) 0.7872(6) 0.47296(13) 0.0389(10) Uani d 1 . .
C C9A -0.00861(14) 0.7251(6) 0.50747(15) 0.0435(11) Uani d 1 . .
H H9A -0.026170 0.687692 0.524591 0.052 Uiso calc 1 . .
C C10A 0.02781(13) 0.7175(6) 0.51687(14) 0.0422(11) Uani d 1 . .
H H10A 0.035523 0.681950 0.540707 0.051 Uiso calc 1 . .
C C11A 0.05324(14) 0.7636(4) 0.49039(14) 0.0340(11) Uani d 1 . .
C C12A 0.09275(12) 0.7830(5) 0.49452(13) 0.0352(9) Uani d 1 . .
C C13A 0.11511(14) 0.7405(5) 0.52453(16) 0.0422(13) Uani d 1 . .
H H13A 0.104815 0.693354 0.545993 0.051 Uiso calc 1 . .
C C14A 0.15180(15) 0.7670(6) 0.52286(16) 0.0493(14) Uani d 1 . .
H H14A 0.166905 0.740684 0.543561 0.059 Uiso calc 1 . .
C C15A 0.16780(12) 0.8335(5) 0.49064(12) 0.0423(10) Uani d 1 . .
C C16A 0.20604(12) 0.8565(6) 0.48900(13) 0.0488(11) Uani d 1 . .
H H16A 0.220534 0.834888 0.510395 0.059 Uiso calc 1 . .
C C17A 0.22268(13) 0.9083(6) 0.45803(13) 0.0512(12) Uani d 1 . .
H H17A 0.248412 0.923200 0.457738 0.061 Uiso calc 1 . .
C C18A 0.20144(12) 0.9397(5) 0.42645(13) 0.0435(10) Uani d 1 . .
H H18A 0.213005 0.973170 0.404404 0.052 Uiso calc 1 . .
C C19A 0.16396(11) 0.9228(5) 0.42680(12) 0.0369(9) Uani d 1 . .
H H19A 0.150161 0.944754 0.404961 0.044 Uiso calc 1 . .
C C20A 0.14565(11) 0.8731(5) 0.45915(11) 0.0349(9) Uani d 1 . .
C C21A 0.10666(11) 0.8519(5) 0.46200(11) 0.0334(9) Uani d 1 . .
C C22A 0.07728(10) 0.9001(4) 0.39723(10) 0.0302(8) Uani d 1 . .
C C23A 0.09461(10) 1.0466(4) 0.38085(10) 0.0310(8) Uani d 1 . .
C C24A 0.10843(10) 1.1956(5) 0.39726(11) 0.0331(8) Uani d 1 . .
C C25A 0.10835(13) 1.2314(5) 0.43535(15) 0.0387(11) Uani d 1 . .
H H25A 0.097616 1.154631 0.451812 0.046 Uiso calc 1 . .
C C26A 0.12339(12) 1.3741(5) 0.44906(13) 0.0449(11) Uani d 1 . .
H H26A 0.122942 1.395994 0.474774 0.054 Uiso calc 1 . .
C C27A 0.13953(12) 1.4885(5) 0.42501(13) 0.0455(11) Uani d 1 . .
H H27A 0.151275 1.584411 0.434692 0.055 Uiso calc 1 . .
C C28A 0.13843(11) 1.4630(5) 0.38838(13) 0.0431(10) Uani d 1 . .
H H28A 0.148516 1.544024 0.372508 0.052 Uiso calc 1 . .
C C29A 0.12261(11) 1.3183(5) 0.37287(12) 0.0374(9) Uani d 1 . .
C C30A 0.12101(12) 1.2941(6) 0.33423(13) 0.0421(10) Uani d 1 . .
H H30A 0.131549 1.374603 0.318528 0.051 Uiso calc 1 . .
C C31A 0.10469(12) 1.1580(5) 0.31904(12) 0.0389(9) Uani d 1 . .
H H31A 0.102728 1.145550 0.293049 0.047 Uiso calc 1 . .
C C32A 0.09086(10) 1.0366(4) 0.34277(10) 0.0318(8) Uani d 1 . .
C C33A 0.07080(10) 0.8859(5) 0.33337(10) 0.0322(8) Uani d 1 . .
C C34A 0.06220(11) 0.8233(5) 0.29800(11) 0.0357(9) Uani d 1 . .
H H34A 0.067641 0.885220 0.276506 0.043 Uiso calc 1 . .
C C35A 0.04593(11) 0.6719(5) 0.29539(11) 0.0381(10) Uani d 1 . .
H H35A 0.039212 0.629849 0.271794 0.046 Uiso calc 1 . .
C C36A 0.03880(10) 0.5757(5) 0.32729(11) 0.0335(9) Uani d 1 . .
C C37A 0.02452(11) 0.4132(5) 0.32325(12) 0.0371(9) Uani d 1 . .
H H37A 0.018847 0.372400 0.299279 0.044 Uiso calc 1 . .
C C38A 0.01875(11) 0.3139(5) 0.35321(11) 0.0373(9) Uani d 1 . .
H H38A 0.009136 0.205395 0.350075 0.045 Uiso calc 1 . .
C C39A 0.02721(11) 0.3744(5) 0.38863(11) 0.0350(9) Uani d 1 . .
H H39A 0.023255 0.305642 0.409441 0.042 Uiso calc 1 . .
C C40A 0.04107(10) 0.5307(5) 0.39376(11) 0.0338(9) Uani d 1 . .
H H40A 0.046770 0.567463 0.418042 0.041 Uiso calc 1 . .
C C41A 0.04708(10) 0.6384(5) 0.36367(10) 0.0301(8) Uani d 1 . .
C C42A 0.06203(11) 0.8035(5) 0.36603(11) 0.0314(8) Uani d 1 . .
C C1B 0.17996(10) 0.8223(4) 0.17836(10) 0.0298(8) Uani d 1 . .
C C2B 0.20174(10) 0.8753(4) 0.21063(10) 0.0311(8) Uani d 1 . .
C C3B 0.19396(11) 0.8642(4) 0.24910(11) 0.0322(8) Uani d 1 . .
C C4B 0.16185(11) 0.7937(5) 0.26409(11) 0.0324(8) Uani d 1 . .
H H4B 0.143157 0.754534 0.247878 0.039 Uiso calc 1 . .
C C5B 0.15727(12) 0.7810(5) 0.30123(13) 0.0369(9) Uani d 1 . .
H H5B 0.135840 0.730476 0.310470 0.044 Uiso calc 1 . .
C C6B 0.18403(12) 0.8422(6) 0.32604(12) 0.0451(11) Uani d 1 . .
H H6B 0.180410 0.835466 0.351873 0.054 Uiso calc 1 . .
C C7B 0.21519(12) 0.9113(5) 0.31268(11) 0.0431(10) Uani d 1 . .
H H7B 0.232905 0.954691 0.329479 0.052 Uiso calc 1 . .
C C8B 0.22172(11) 0.9199(5) 0.27428(11) 0.0367(9) Uani d 1 . .
C C9B 0.25598(11) 0.9744(5) 0.26096(13) 0.0423(10) Uani d 1 . .
H H9B 0.273530 1.018062 0.277884 0.051 Uiso calc 1 . .
C C10B 0.26429(12) 0.9656(5) 0.22457(12) 0.0405(10) Uani d 1 . .
H H10B 0.287880 0.995326 0.216246 0.049 Uiso calc 1 . .
C C11B 0.23700(10) 0.9112(5) 0.19954(11) 0.0341(9) Uani d 1 . .
C C12B 0.23937(11) 0.8775(5) 0.16018(11) 0.0357(9) Uani d 1 . .
C C13B 0.26945(12) 0.8977(6) 0.13727(12) 0.0454(11) Uani d 1 . .
H H13B 0.292030 0.936751 0.147151 0.055 Uiso calc 1 . .
C C14B 0.26618(12) 0.8611(6) 0.10081(12) 0.0496(11) Uani d 1 . .
H H14B 0.286915 0.869224 0.085488 0.060 Uiso calc 1 . .
C C15B 0.23212(12) 0.8108(6) 0.08541(11) 0.0399(9) Uani d 1 . .
C C16B 0.22857(14) 0.7850(7) 0.04678(15) 0.0495(12) Uani d 1 . .
H H16B 0.249583 0.794073 0.031861 0.059 Uiso calc 1 . .
C C17B 0.19579(16) 0.7476(5) 0.03061(17) 0.0488(15) Uani d 1 . .
H H17B 0.193900 0.729870 0.004769 0.059 Uiso calc 1 . .
C C18B 0.16495(14) 0.7359(5) 0.05275(14) 0.0396(12) Uani d 1 . .
H H18B 0.141942 0.711281 0.041605 0.047 Uiso calc 1 . .
C C19B 0.16715(13) 0.7589(4) 0.09006(15) 0.0337(11) Uani d 1 . .
H H19B 0.145590 0.751305 0.104200 0.040 Uiso calc 1 . .
C C20B 0.20063(11) 0.7937(5) 0.10798(11) 0.0321(8) Uani d 1 . .
C C21B 0.20568(10) 0.8187(5) 0.14677(10) 0.0315(8) Uani d 1 . .
C C22B 0.14263(11) 0.7877(5) 0.17778(11) 0.0297(8) Uani d 1 . .
C C23B 0.12514(10) 0.6437(4) 0.16011(10) 0.0296(8) Uani d 1 . .
C C24B 0.14033(11) 0.4913(4) 0.14716(10) 0.0318(8) Uani d 1 . .
C C25B 0.17781(11) 0.4493(5) 0.14893(11) 0.0354(9) Uani d 1 . .
H H25B 0.194672 0.525269 0.159703 0.042 Uiso calc 1 . .
C C26B 0.19051(13) 0.3003(5) 0.13535(12) 0.0412(10) Uani d 1 . .
H H26B 0.215776 0.274240 0.137022 0.049 Uiso calc 1 . .
C C27B 0.16596(13) 0.1882(5) 0.11915(12) 0.0430(10) Uani d 1 . .
H H27B 0.174705 0.088286 0.108630 0.052 Uiso calc 1 . .
C C28B 0.12987(14) 0.2219(5) 0.11844(13) 0.0401(11) Uani d 1 . .
H H28B 0.113519 0.142059 0.108303 0.048 Uiso calc 1 . .
C C29B 0.11555(11) 0.3713(5) 0.13220(11) 0.0351(9) Uani d 1 . .
C C30B 0.07747(11) 0.4026(5) 0.13225(11) 0.0379(9) Uani d 1 . .
H H30B 0.061341 0.323963 0.121283 0.045 Uiso calc 1 . .
C C31B 0.06338(11) 0.5417(5) 0.14752(11) 0.0371(9) Uani d 1 . .
H H31B 0.037709 0.558316 0.148100 0.044 Uiso calc 1 . .
C C32B 0.08730(10) 0.6603(5) 0.16241(11) 0.0320(8) Uani d 1 . .
C C33B 0.07942(10) 0.8130(5) 0.18178(10) 0.0310(8) Uani d 1 . .
C C34B 0.04491(11) 0.8804(5) 0.18937(11) 0.0355(9) Uani d 1 . .
H H34B 0.023239 0.821254 0.183182 0.043 Uiso calc 1 . .
C C35B 0.04314(11) 1.0326(5) 0.20582(11) 0.0370(9) Uani d 1 . .
H H35B 0.020007 1.078000 0.211702 0.044 Uiso calc 1 . .
C C36B 0.07533(10) 1.1238(5) 0.21423(10) 0.0330(9) Uani d 1 . .
C C37B 0.07272(12) 1.2866(6) 0.22848(12) 0.0376(9) Uani d 1 . .
H H37B 0.049240 1.331869 0.232900 0.045 Uiso calc 1 . .
C C38B 0.10282(12) 1.3802(5) 0.23602(11) 0.0391(10) Uani d 1 . .
H H38B 0.100481 1.488176 0.246132 0.047 Uiso calc 1 . .
C C39B 0.13736(12) 1.3143(5) 0.22860(11) 0.0365(10) Uani d 1 . .
H H39B 0.158444 1.380073 0.233231 0.044 Uiso calc 1 . .
C C40B 0.14149(11) 1.1578(5) 0.21489(10) 0.0327(9) Uani d 1 . .
H H40B 0.165327 1.116781 0.210367 0.039 Uiso calc 1 . .
C C41B 0.11080(10) 1.0557(4) 0.20732(10) 0.0306(8) Uani d 1 . .
C C42B 0.11221(10) 0.8906(4) 0.19212(10) 0.0294(8) Uani d 1 . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
C22A C1A C2A . . 125.1(4) ?
C22A C1A C21A . . 128.3(4) ?
C2A C1A C21A . . 106.5(3) ?
C11A C2A C3A . . 119.6(4) ?
C11A C2A C1A . . 108.5(4) ?
C3A C2A C1A . . 130.8(4) ?
C2A C3A C4A . . 125.1(4) ?
C2A C3A C8A . . 117.6(4) ?
C4A C3A C8A . . 117.2(4) ?
C5A C4A C3A . . 121.5(4) ?
C5A C4A H4A . . 119.2 ?
C3A C4A H4A . . 119.2 ?
C4A C5A C6A . . 120.9(4) ?
C4A C5A H5A . . 119.6 ?
C6A C5A H5A . . 119.6 ?
C7A C6A C5A . . 120.0(4) ?
C7A C6A H6A . . 120.0 ?
C5A C6A H6A . . 120.0 ?
C6A C7A C8A . . 120.6(4) ?
C6A C7A H7A . . 119.7 ?
C8A C7A H7A . . 119.7 ?
C9A C8A C7A . . 120.2(4) ?
C9A C8A C3A . . 120.0(4) ?
C7A C8A C3A . . 119.8(4) ?
C10A C9A C8A . . 121.6(5) ?
C10A C9A H9A . . 119.2 ?
C8A C9A H9A . . 119.2 ?
C9A C10A C11A . . 118.1(5) ?
C9A C10A H10A . . 120.9 ?
C11A C10A H10A . . 120.9 ?
C2A C11A C10A . . 122.6(4) ?
C2A C11A C12A . . 108.5(4) ?
C10A C11A C12A . . 128.8(5) ?
C13A C12A C21A . . 122.4(4) ?
C13A C12A C11A . . 128.5(4) ?
C21A C12A C11A . . 109.1(4) ?
C14A C13A C12A . . 119.6(5) ?
C14A C13A H13A . . 120.2 ?
C12A C13A H13A . . 120.2 ?
C13A C14A C15A . . 121.0(5) ?
C13A C14A H14A . . 119.5 ?
C15A C14A H14A . . 119.5 ?
C16A C15A C14A . . 120.3(4) ?
C16A C15A C20A . . 119.2(4) ?
C14A C15A C20A . . 120.4(4) ?
C17A C16A C15A . . 122.3(4) ?
C17A C16A H16A . . 118.9 ?
C15A C16A H16A . . 118.9 ?
C16A C17A C18A . . 119.0(4) ?
C16A C17A H17A . . 120.5 ?
C18A C17A H17A . . 120.5 ?
C19A C18A C17A . . 121.1(4) ?
C19A C18A H18A . . 119.5 ?
C17A C18A H18A . . 119.5 ?
C18A C19A C20A . . 121.2(4) ?
C18A C19A H19A . . 119.4 ?
C20A C19A H19A . . 119.4 ?
C19A C20A C15A . . 117.1(4) ?
C19A C20A C21A . . 125.0(4) ?
C15A C20A C21A . . 117.8(4) ?
C12A C21A C20A . . 118.6(4) ?
C12A C21A C1A . . 107.2(4) ?
C20A C21A C1A . . 133.4(4) ?
C1A C22A C23A . . 126.3(3) ?
C1A C22A C42A . . 127.8(3) ?
C23A C22A C42A . . 105.9(3) ?
C32A C23A C24A . . 119.5(3) ?
C32A C23A C22A . . 108.6(3) ?
C24A C23A C22A . . 131.2(3) ?
C25A C24A C29A . . 118.0(4) ?
C25A C24A C23A . . 125.0(4) ?
C29A C24A C23A . . 117.0(4) ?
C26A C25A C24A . . 121.5(5) ?
C26A C25A H25A . . 119.3 ?
C24A C25A H25A . . 119.3 ?
C25A C26A C27A . . 119.9(4) ?
C25A C26A H26A . . 120.1 ?
C27A C26A H26A . . 120.1 ?
C28A C27A C26A . . 120.4(4) ?
C28A C27A H27A . . 119.8 ?
C26A C27A H27A . . 119.8 ?
C27A C28A C29A . . 121.7(4) ?
C27A C28A H28A . . 119.2 ?
C29A C28A H28A . . 119.2 ?
C30A C29A C28A . . 121.2(4) ?
C30A C29A C24A . . 120.4(4) ?
C28A C29A C24A . . 118.4(4) ?
C31A C30A C29A . . 121.5(4) ?
C31A C30A H30A . . 119.2 ?
C29A C30A H30A . . 119.2 ?
C30A C31A C32A . . 118.3(4) ?
C30A C31A H31A . . 120.8 ?
C32A C31A H31A . . 120.8 ?
C23A C32A C31A . . 122.6(4) ?
C23A C32A C33A . . 108.8(3) ?
C31A C32A C33A . . 128.6(4) ?
C42A C33A C34A . . 123.3(4) ?
C42A C33A C32A . . 108.6(3) ?
C34A C33A C32A . . 128.0(3) ?
C35A C34A C33A . . 118.4(3) ?
C35A C34A H34A . . 120.8 ?
C33A C34A H34A . . 120.8 ?
C34A C35A C36A . . 121.3(4) ?
C34A C35A H35A . . 119.4 ?
C36A C35A H35A . . 119.4 ?
C37A C36A C35A . . 119.5(4) ?
C37A C36A C41A . . 119.4(4) ?
C35A C36A C41A . . 121.0(4) ?
C38A C37A C36A . . 121.3(4) ?
C38A C37A H37A . . 119.3 ?
C36A C37A H37A . . 119.3 ?
C37A C38A C39A . . 119.2(4) ?
C37A C38A H38A . . 120.4 ?
C39A C38A H38A . . 120.4 ?
C40A C39A C38A . . 121.3(4) ?
C40A C39A H39A . . 119.3 ?
C38A C39A H39A . . 119.3 ?
C39A C40A C41A . . 121.5(4) ?
C39A C40A H40A . . 119.3 ?
C41A C40A H40A . . 119.3 ?
C40A C41A C36A . . 117.2(3) ?
C40A C41A C42A . . 125.8(3) ?
C36A C41A C42A . . 116.9(3) ?
C33A C42A C41A . . 118.7(3) ?
C33A C42A C22A . . 108.0(3) ?
C41A C42A C22A . . 132.2(3) ?
C22B C1B C2B . . 126.1(3) ?
C22B C1B C21B . . 127.8(4) ?
C2B C1B C21B . . 106.0(3) ?
C11B C2B C3B . . 119.7(4) ?
C11B C2B C1B . . 109.0(3) ?
C3B C2B C1B . . 130.1(3) ?
C4B C3B C8B . . 117.8(4) ?
C4B C3B C2B . . 125.2(4) ?
C8B C3B C2B . . 117.0(4) ?
C5B C4B C3B . . 121.5(4) ?
C5B C4B H4B . . 119.2 ?
C3B C4B H4B . . 119.2 ?
C4B C5B C6B . . 120.6(4) ?
C4B C5B H5B . . 119.7 ?
C6B C5B H5B . . 119.7 ?
C7B C6B C5B . . 119.5(4) ?
C7B C6B H6B . . 120.2 ?
C5B C6B H6B . . 120.2 ?
C6B C7B C8B . . 121.5(4) ?
C6B C7B H7B . . 119.2 ?
C8B C7B H7B . . 119.2 ?
C7B C8B C9B . . 120.8(4) ?
C7B C8B C3B . . 118.9(4) ?
C9B C8B C3B . . 120.2(4) ?
C10B C9B C8B . . 121.7(4) ?
C10B C9B H9B . . 119.2 ?
C8B C9B H9B . . 119.2 ?
C9B C10B C11B . . 118.3(4) ?
C9B C10B H10B . . 120.8 ?
C11B C10B H10B . . 120.8 ?
C2B C11B C10B . . 122.1(4) ?
C2B C11B C12B . . 108.3(3) ?
C10B C11B C12B . . 129.6(4) ?
C13B C12B C21B . . 122.0(4) ?
C13B C12B C11B . . 128.3(4) ?
C21B C12B C11B . . 109.8(3) ?
C14B C13B C12B . . 119.6(4) ?
C14B C13B H13B . . 120.2 ?
C12B C13B H13B . . 120.2 ?
C13B C14B C15B . . 120.7(4) ?
C13B C14B H14B . . 119.7 ?
C15B C14B H14B . . 119.7 ?
C14B C15B C16B . . 119.8(4) ?
C14B C15B C20B . . 120.9(4) ?
C16B C15B C20B . . 119.2(4) ?
C17B C16B C15B . . 121.6(5) ?
C17B C16B H16B . . 119.2 ?
C15B C16B H16B . . 119.2 ?
C16B C17B C18B . . 118.8(5) ?
C16B C17B H17B . . 120.6 ?
C18B C17B H17B . . 120.6 ?
C19B C18B C17B . . 121.5(5) ?
C19B C18B H18B . . 119.2 ?
C17B C18B H18B . . 119.2 ?
C18B C19B C20B . . 121.5(5) ?
C18B C19B H19B . . 119.3 ?
C20B C19B H19B . . 119.3 ?
C19B C20B C15B . . 117.3(4) ?
C19B C20B C21B . . 125.5(4) ?
C15B C20B C21B . . 117.1(4) ?
C12B C21B C20B . . 119.3(4) ?
C12B C21B C1B . . 106.8(3) ?
C20B C21B C1B . . 133.1(4) ?
C1B C22B C23B . . 125.8(4) ?
C1B C22B C42B . . 128.4(4) ?
C23B C22B C42B . . 105.7(3) ?
C32B C23B C24B . . 119.5(3) ?
C32B C23B C22B . . 108.9(3) ?
C24B C23B C22B . . 130.8(3) ?
C25B C24B C29B . . 117.7(3) ?
C25B C24B C23B . . 124.9(3) ?
C29B C24B C23B . . 117.3(3) ?
C26B C25B C24B . . 121.6(4) ?
C26B C25B H25B . . 119.2 ?
C24B C25B H25B . . 119.2 ?
C25B C26B C27B . . 119.7(4) ?
C25B C26B H26B . . 120.2 ?
C27B C26B H26B . . 120.2 ?
C28B C27B C26B . . 120.0(4) ?
C28B C27B H27B . . 120.0 ?
C26B C27B H27B . . 120.0 ?
C27B C28B C29B . . 122.4(4) ?
C27B C28B H28B . . 118.8 ?
C29B C28B H28B . . 118.8 ?
C28B C29B C30B . . 121.6(4) ?
C28B C29B C24B . . 118.5(4) ?
C30B C29B C24B . . 119.9(4) ?
C31B C30B C29B . . 121.9(4) ?
C31B C30B H30B . . 119.1 ?
C29B C30B H30B . . 119.1 ?
C30B C31B C32B . . 118.9(4) ?
C30B C31B H31B . . 120.5 ?
C32B C31B H31B . . 120.5 ?
C23B C32B C31B . . 121.8(4) ?
C23B C32B C33B . . 108.4(3) ?
C31B C32B C33B . . 129.8(4) ?
C42B C33B C34B . . 122.9(4) ?
C42B C33B C32B . . 109.5(3) ?
C34B C33B C32B . . 127.6(4) ?
C35B C34B C33B . . 118.8(4) ?
C35B C34B H34B . . 120.6 ?
C33B C34B H34B . . 120.6 ?
C34B C35B C36B . . 121.0(4) ?
C34B C35B H35B . . 119.5 ?
C36B C35B H35B . . 119.5 ?
C37B C36B C35B . . 120.0(4) ?
C37B C36B C41B . . 119.0(4) ?
C35B C36B C41B . . 121.0(4) ?
C38B C37B C36B . . 122.0(4) ?
C38B C37B H37B . . 119.0 ?
C36B C37B H37B . . 119.0 ?
C37B C38B C39B . . 118.8(4) ?
C37B C38B H38B . . 120.6 ?
C39B C38B H38B . . 120.6 ?
C40B C39B C38B . . 121.7(4) ?
C40B C39B H39B . . 119.1 ?
C38B C39B H39B . . 119.1 ?
C39B C40B C41B . . 121.1(4) ?
C39B C40B H40B . . 119.5 ?
C41B C40B H40B . . 119.5 ?
C40B C41B C36B . . 117.4(3) ?
C40B C41B C42B . . 125.3(3) ?
C36B C41B C42B . . 117.2(3) ?
C33B C42B C41B . . 118.7(3) ?
C33B C42B C22B . . 107.5(3) ?
C41B C42B C22B . . 132.8(3) ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
C1A C22A . 1.408(5) ?
C1A C2A . 1.471(5) ?
C1A C21A . 1.479(5) ?
C2A C11A . 1.393(6) ?
C2A C3A . 1.418(5) ?
C3A C4A . 1.424(5) ?
C3A C8A . 1.433(6) ?
C4A C5A . 1.365(6) ?
C4A H4A . 0.9500 ?
C5A C6A . 1.401(5) ?
C5A H5A . 0.9500 ?
C6A C7A . 1.371(6) ?
C6A H6A . 0.9500 ?
C7A C8A . 1.418(6) ?
C7A H7A . 0.9500 ?
C8A C9A . 1.413(7) ?
C9A C10A . 1.373(7) ?
C9A H9A . 0.9500 ?
C10A C11A . 1.398(6) ?
C10A H10A . 0.9500 ?
C11A C12A . 1.461(6) ?
C12A C13A . 1.395(6) ?
C12A C21A . 1.406(6) ?
C13A C14A . 1.363(7) ?
C13A H13A . 0.9500 ?
C14A C15A . 1.421(7) ?
C14A H14A . 0.9500 ?
C15A C16A . 1.414(6) ?
C15A C20A . 1.428(5) ?
C16A C17A . 1.353(6) ?
C16A H16A . 0.9500 ?
C17A C18A . 1.398(6) ?
C17A H17A . 0.9500 ?
C18A C19A . 1.379(6) ?
C18A H18A . 0.9500 ?
C19A C20A . 1.418(6) ?
C19A H19A . 0.9500 ?
C20A C21A . 1.443(5) ?
C22A C23A . 1.471(5) ?
C22A C42A . 1.477(5) ?
C23A C32A . 1.389(5) ?
C23A C24A . 1.431(5) ?
C24A C25A . 1.412(6) ?
C24A C29A . 1.431(6) ?
C25A C26A . 1.367(6) ?
C25A H25A . 0.9500 ?
C26A C27A . 1.407(6) ?
C26A H26A . 0.9500 ?
C27A C28A . 1.345(6) ?
C27A H27A . 0.9500 ?
C28A C29A . 1.416(6) ?
C28A H28A . 0.9500 ?
C29A C30A . 1.416(6) ?
C30A C31A . 1.363(6) ?
C30A H30A . 0.9500 ?
C31A C32A . 1.404(5) ?
C31A H31A . 0.9500 ?
C32A C33A . 1.458(5) ?
C33A C42A . 1.400(5) ?
C33A C34A . 1.410(5) ?
C34A C35A . 1.362(6) ?
C34A H34A . 0.9500 ?
C35A C36A . 1.421(5) ?
C35A H35A . 0.9500 ?
C36A C37A . 1.419(5) ?
C36A C41A . 1.442(5) ?
C37A C38A . 1.369(6) ?
C37A H37A . 0.9500 ?
C38A C39A . 1.405(5) ?
C38A H38A . 0.9500 ?
C39A C40A . 1.371(5) ?
C39A H39A . 0.9500 ?
C40A C41A . 1.415(5) ?
C40A H40A . 0.9500 ?
C41A C42A . 1.443(5) ?
C1B C22B . 1.395(5) ?
C1B C2B . 1.470(5) ?
C1B C21B . 1.494(5) ?
C2B C11B . 1.389(5) ?
C2B C3B . 1.432(5) ?
C3B C4B . 1.421(5) ?
C3B C8B . 1.429(5) ?
C4B C5B . 1.364(6) ?
C4B H4B . 0.9500 ?
C5B C6B . 1.410(6) ?
C5B H5B . 0.9500 ?
C6B C7B . 1.365(6) ?
C6B H6B . 0.9500 ?
C7B C8B . 1.419(6) ?
C7B H7B . 0.9500 ?
C8B C9B . 1.421(5) ?
C9B C10B . 1.361(6) ?
C9B H9B . 0.9500 ?
C10B C11B . 1.410(5) ?
C10B H10B . 0.9500 ?
C11B C12B . 1.457(5) ?
C12B C13B . 1.399(5) ?
C12B C21B . 1.402(5) ?
C13B C14B . 1.359(6) ?
C13B H13B . 0.9500 ?
C14B C15B . 1.418(6) ?
C14B H14B . 0.9500 ?
C15B C16B . 1.421(7) ?
C15B C20B . 1.431(5) ?
C16B C17B . 1.362(8) ?
C16B H16B . 0.9500 ?
C17B C18B . 1.399(7) ?
C17B H17B . 0.9500 ?
C18B C19B . 1.368(7) ?
C18B H18B . 0.9500 ?
C19B C20B . 1.407(6) ?
C19B H19B . 0.9500 ?
C20B C21B . 1.431(5) ?
C22B C23B . 1.470(5) ?
C22B C42B . 1.489(5) ?
C23B C32B . 1.396(5) ?
C23B C24B . 1.432(5) ?
C24B C25B . 1.414(5) ?
C24B C29B . 1.429(5) ?
C25B C26B . 1.382(6) ?
C25B H25B . 0.9500 ?
C26B C27B . 1.399(6) ?
C26B H26B . 0.9500 ?
C27B C28B . 1.349(7) ?
C27B H27B . 0.9500 ?
C28B C29B . 1.409(6) ?
C28B H28B . 0.9500 ?
C29B C30B . 1.417(6) ?
C30B C31B . 1.357(5) ?
C30B H30B . 0.9500 ?
C31B C32B . 1.400(5) ?
C31B H31B . 0.9500 ?
C32B C33B . 1.450(6) ?
C33B C42B . 1.400(5) ?
C33B C34B . 1.407(5) ?
C34B C35B . 1.368(5) ?
C34B H34B . 0.9500 ?
C35B C36B . 1.419(5) ?
C35B H35B . 0.9500 ?
C36B C37B . 1.416(6) ?
C36B C41B . 1.436(5) ?
C37B C38B . 1.361(6) ?
C37B H37B . 0.9500 ?
C38B C39B . 1.402(6) ?
C38B H38B . 0.9500 ?
C39B C40B . 1.366(6) ?
C39B H39B . 0.9500 ?
C40B C41B . 1.417(5) ?
C40B H40B . 0.9500 ?
C41B C42B . 1.444(5) ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
C22A C1A C2A C11A . . . . 172.4(3) ?
C21A C1A C2A C11A . . . . -4.0(4) ?
C22A C1A C2A C3A . . . . -20.4(6) ?
C21A C1A C2A C3A . . . . 163.2(4) ?
C11A C2A C3A C4A . . . . 168.4(4) ?
C1A C2A C3A C4A . . . . 2.3(7) ?
C11A C2A C3A C8A . . . . -7.3(6) ?
C1A C2A C3A C8A . . . . -173.4(4) ?
C2A C3A C4A C5A . . . . -177.7(4) ?
C8A C3A C4A C5A . . . . -2.0(6) ?
C3A C4A C5A C6A . . . . 0.2(6) ?
C4A C5A C6A C7A . . . . 0.5(6) ?
C5A C6A C7A C8A . . . . 0.7(7) ?
C6A C7A C8A C9A . . . . 174.8(4) ?
C6A C7A C8A C3A . . . . -2.5(7) ?
C2A C3A C8A C9A . . . . 1.8(6) ?
C4A C3A C8A C9A . . . . -174.2(4) ?
C2A C3A C8A C7A . . . . 179.1(4) ?
C4A C3A C8A C7A . . . . 3.1(6) ?
C7A C8A C9A C10A . . . . -173.4(5) ?
C3A C8A C9A C10A . . . . 3.9(7) ?
C8A C9A C10A C11A . . . . -3.9(7) ?
C3A C2A C11A C10A . . . . 7.6(6) ?
C1A C2A C11A C10A . . . . 176.5(4) ?
C3A C2A C11A C12A . . . . -168.2(4) ?
C1A C2A C11A C12A . . . . 0.7(4) ?
C9A C10A C11A C2A . . . . -1.9(6) ?
C9A C10A C11A C12A . . . . 173.0(4) ?
C2A C11A C12A C13A . . . . -175.7(4) ?
C10A C11A C12A C13A . . . . 8.8(7) ?
C2A C11A C12A C21A . . . . 3.1(5) ?
C10A C11A C12A C21A . . . . -172.3(4) ?
C21A C12A C13A C14A . . . . 0.5(7) ?
C11A C12A C13A C14A . . . . 179.2(4) ?
C12A C13A C14A C15A . . . . -1.6(7) ?
C13A C14A C15A C16A . . . . -178.5(4) ?
C13A C14A C15A C20A . . . . -0.3(7) ?
C14A C15A C16A C17A . . . . 175.2(4) ?
C20A C15A C16A C17A . . . . -2.9(7) ?
C15A C16A C17A C18A . . . . -0.2(7) ?
C16A C17A C18A C19A . . . . 1.7(7) ?
C17A C18A C19A C20A . . . . 0.0(6) ?
C18A C19A C20A C15A . . . . -3.1(6) ?
C18A C19A C20A C21A . . . . -179.8(4) ?
C16A C15A C20A C19A . . . . 4.5(6) ?
C14A C15A C20A C19A . . . . -173.7(4) ?
C16A C15A C20A C21A . . . . -178.6(4) ?
C14A C15A C20A C21A . . . . 3.3(6) ?
C13A C12A C21A C20A . . . . 2.5(6) ?
C11A C12A C21A C20A . . . . -176.4(3) ?
C13A C12A C21A C1A . . . . 173.4(4) ?
C11A C12A C21A C1A . . . . -5.6(4) ?
C19A C20A C21A C12A . . . . 172.4(4) ?
C15A C20A C21A C12A . . . . -4.3(5) ?
C19A C20A C21A C1A . . . . 4.5(7) ?
C15A C20A C21A C1A . . . . -172.2(4) ?
C22A C1A C21A C12A . . . . -170.4(4) ?
C2A C1A C21A C12A . . . . 5.9(4) ?
C22A C1A C21A C20A . . . . -1.5(7) ?
C2A C1A C21A C20A . . . . 174.8(4) ?
C2A C1A C22A C23A . . . . 131.8(4) ?
C21A C1A C22A C23A . . . . -52.6(6) ?
C2A C1A C22A C42A . . . . -48.7(6) ?
C21A C1A C22A C42A . . . . 127.0(4) ?
C1A C22A C23A C32A . . . . 178.2(4) ?
C42A C22A C23A C32A . . . . -1.4(4) ?
C1A C22A C23A C24A . . . . -11.9(6) ?
C42A C22A C23A C24A . . . . 168.5(4) ?
C32A C23A C24A C25A . . . . 169.8(4) ?
C22A C23A C24A C25A . . . . 0.9(7) ?
C32A C23A C24A C29A . . . . -8.8(5) ?
C22A C23A C24A C29A . . . . -177.7(4) ?
C29A C24A C25A C26A . . . . -4.0(6) ?
C23A C24A C25A C26A . . . . 177.4(4) ?
C24A C25A C26A C27A . . . . -0.3(7) ?
C25A C26A C27A C28A . . . . 3.8(7) ?
C26A C27A C28A C29A . . . . -2.8(7) ?
C27A C28A C29A C30A . . . . 178.8(4) ?
C27A C28A C29A C24A . . . . -1.6(6) ?
C25A C24A C29A C30A . . . . -175.5(4) ?
C23A C24A C29A C30A . . . . 3.1(6) ?
C25A C24A C29A C28A . . . . 5.0(6) ?
C23A C24A C29A C28A . . . . -176.4(3) ?
C28A C29A C30A C31A . . . . -177.7(4) ?
C24A C29A C30A C31A . . . . 2.8(7) ?
C29A C30A C31A C32A . . . . -3.1(6) ?
C24A C23A C32A C31A . . . . 9.0(6) ?
C22A C23A C32A C31A . . . . -179.8(3) ?
C24A C23A C32A C33A . . . . -170.5(3) ?
C22A C23A C32A C33A . . . . 0.7(4) ?
C30A C31A C32A C23A . . . . -2.9(6) ?
C30A C31A C32A C33A . . . . 176.5(4) ?
C23A C32A C33A C42A . . . . 0.3(4) ?
C31A C32A C33A C42A . . . . -179.2(4) ?
C23A C32A C33A C34A . . . . -177.1(4) ?
C31A C32A C33A C34A . . . . 3.4(7) ?
C42A C33A C34A C35A . . . . -2.8(6) ?
C32A C33A C34A C35A . . . . 174.3(4) ?
C33A C34A C35A C36A . . . . -2.2(6) ?
C34A C35A C36A C37A . . . . -174.9(4) ?
C34A C35A C36A C41A . . . . 2.8(6) ?
C35A C36A C37A C38A . . . . 177.2(4) ?
C41A C36A C37A C38A . . . . -0.6(6) ?
C36A C37A C38A C39A . . . . -0.1(6) ?
C37A C38A C39A C40A . . . . 0.1(6) ?
C38A C39A C40A C41A . . . . 0.7(6) ?
C39A C40A C41A C36A . . . . -1.4(6) ?
C39A C40A C41A C42A . . . . -179.0(4) ?
C37A C36A C41A C40A . . . . 1.3(5) ?
C35A C36A C41A C40A . . . . -176.4(4) ?
C37A C36A C41A C42A . . . . 179.1(3) ?
C35A C36A C41A C42A . . . . 1.4(5) ?
C34A C33A C42A C41A . . . . 7.0(6) ?
C32A C33A C42A C41A . . . . -170.6(3) ?
C34A C33A C42A C22A . . . . 176.4(4) ?
C32A C33A C42A C22A . . . . -1.2(4) ?
C40A C41A C42A C33A . . . . 171.6(4) ?
C36A C41A C42A C33A . . . . -6.0(5) ?
C40A C41A C42A C22A . . . . 5.3(7) ?
C36A C41A C42A C22A . . . . -172.3(4) ?
C1A C22A C42A C33A . . . . -178.0(4) ?
C23A C22A C42A C33A . . . . 1.6(4) ?
C1A C22A C42A C41A . . . . -10.6(7) ?
C23A C22A C42A C41A . . . . 169.0(4) ?
C22B C1B C2B C11B . . . . -174.9(4) ?
C21B C1B C2B C11B . . . . 3.4(4) ?
C22B C1B C2B C3B . . . . 17.9(6) ?
C21B C1B C2B C3B . . . . -163.8(4) ?
C11B C2B C3B C4B . . . . -165.3(4) ?
C1B C2B C3B C4B . . . . 0.8(6) ?
C11B C2B C3B C8B . . . . 10.9(5) ?
C1B C2B C3B C8B . . . . 176.9(4) ?
C8B C3B C4B C5B . . . . 0.8(6) ?
C2B C3B C4B C5B . . . . 176.9(4) ?
C3B C4B C5B C6B . . . . 1.8(6) ?
C4B C5B C6B C7B . . . . -1.5(7) ?
C5B C6B C7B C8B . . . . -1.4(7) ?
C6B C7B C8B C9B . . . . -172.7(4) ?
C6B C7B C8B C3B . . . . 4.0(6) ?
C4B C3B C8B C7B . . . . -3.6(6) ?
C2B C3B C8B C7B . . . . 179.9(4) ?
C4B C3B C8B C9B . . . . 173.1(4) ?
C2B C3B C8B C9B . . . . -3.4(5) ?
C7B C8B C9B C10B . . . . 172.3(4) ?
C3B C8B C9B C10B . . . . -4.3(6) ?
C8B C9B C10B C11B . . . . 4.3(7) ?
C3B C2B C11B C10B . . . . -11.3(6) ?
C1B C2B C11B C10B . . . . 180.0(4) ?
C3B C2B C11B C12B . . . . 167.0(3) ?
C1B C2B C11B C12B . . . . -1.8(4) ?
C9B C10B C11B C2B . . . . 3.5(6) ?
C9B C10B C11B C12B . . . . -174.3(4) ?
C2B C11B C12B C13B . . . . 179.1(4) ?
C10B C11B C12B C13B . . . . -2.8(7) ?
C2B C11B C12B C21B . . . . -0.6(5) ?
C10B C11B C12B C21B . . . . 177.4(4) ?
C21B C12B C13B C14B . . . . 0.6(7) ?
C11B C12B C13B C14B . . . . -179.2(4) ?
C12B C13B C14B C15B . . . . 3.3(7) ?
C13B C14B C15B C16B . . . . 175.3(5) ?
C13B C14B C15B C20B . . . . -1.4(7) ?
C14B C15B C16B C17B . . . . -175.5(5) ?
C20B C15B C16B C17B . . . . 1.3(7) ?
C15B C16B C17B C18B . . . . 0.5(7) ?
C16B C17B C18B C19B . . . . -0.8(6) ?
C17B C18B C19B C20B . . . . -0.7(6) ?
C18B C19B C20B C15B . . . . 2.5(6) ?
C18B C19B C20B C21B . . . . -179.6(4) ?
C14B C15B C20B C19B . . . . 174.0(4) ?
C16B C15B C20B C19B . . . . -2.7(6) ?
C14B C15B C20B C21B . . . . -4.0(6) ?
C16B C15B C20B C21B . . . . 179.2(4) ?
C13B C12B C21B C20B . . . . -6.2(6) ?
C11B C12B C21B C20B . . . . 173.6(3) ?
C13B C12B C21B C1B . . . . -177.0(4) ?
C11B C12B C21B C1B . . . . 2.8(4) ?
C19B C20B C21B C12B . . . . -170.2(4) ?
C15B C20B C21B C12B . . . . 7.7(6) ?
C19B C20B C21B C1B . . . . -2.3(7) ?
C15B C20B C21B C1B . . . . 175.6(4) ?
C22B C1B C21B C12B . . . . 174.5(4) ?
C2B C1B C21B C12B . . . . -3.8(4) ?
C22B C1B C21B C20B . . . . 5.5(7) ?
C2B C1B C21B C20B . . . . -172.8(4) ?
C2B C1B C22B C23B . . . . -134.6(4) ?
C21B C1B C22B C23B . . . . 47.4(6) ?
C2B C1B C22B C42B . . . . 50.0(6) ?
C21B C1B C22B C42B . . . . -128.0(4) ?
C1B C22B C23B C32B . . . . -174.4(4) ?
C42B C22B C23B C32B . . . . 1.8(4) ?
C1B C22B C23B C24B . . . . 15.6(7) ?
C42B C22B C23B C24B . . . . -168.1(4) ?
C32B C23B C24B C25B . . . . -169.6(4) ?
C22B C23B C24B C25B . . . . -0.5(6) ?
C32B C23B C24B C29B . . . . 8.7(5) ?
C22B C23B C24B C29B . . . . 177.8(4) ?
C29B C24B C25B C26B . . . . 2.6(6) ?
C23B C24B C25B C26B . . . . -179.1(4) ?
C24B C25B C26B C27B . . . . 0.5(6) ?
C25B C26B C27B C28B . . . . -3.3(7) ?
C26B C27B C28B C29B . . . . 2.8(7) ?
C27B C28B C29B C30B . . . . -178.1(4) ?
C27B C28B C29B C24B . . . . 0.5(7) ?
C25B C24B C29B C28B . . . . -3.1(6) ?
C23B C24B C29B C28B . . . . 178.5(4) ?
C25B C24B C29B C30B . . . . 175.5(4) ?
C23B C24B C29B C30B . . . . -2.9(5) ?
C28B C29B C30B C31B . . . . 175.9(4) ?
C24B C29B C30B C31B . . . . -2.7(6) ?
C29B C30B C31B C32B . . . . 2.4(6) ?
C24B C23B C32B C31B . . . . -9.3(6) ?
C22B C23B C32B C31B . . . . 179.4(4) ?
C24B C23B C32B C33B . . . . 170.7(3) ?
C22B C23B C32B C33B . . . . -0.6(4) ?
C30B C31B C32B C23B . . . . 3.7(6) ?
C30B C31B C32B C33B . . . . -176.3(4) ?
C23B C32B C33B C42B . . . . -0.9(5) ?
C31B C32B C33B C42B . . . . 179.1(4) ?
C23B C32B C33B C34B . . . . 178.2(4) ?
C31B C32B C33B C34B . . . . -1.8(7) ?
C42B C33B C34B C35B . . . . 3.6(6) ?
C32B C33B C34B C35B . . . . -175.4(4) ?
C33B C34B C35B C36B . . . . 1.8(6) ?
C34B C35B C36B C37B . . . . 174.9(4) ?
C34B C35B C36B C41B . . . . -3.0(6) ?
C35B C36B C37B C38B . . . . -178.3(4) ?
C41B C36B C37B C38B . . . . -0.4(6) ?
C36B C37B C38B C39B . . . . 1.5(6) ?
C37B C38B C39B C40B . . . . -1.6(6) ?
C38B C39B C40B C41B . . . . 0.5(6) ?
C39B C40B C41B C36B . . . . 0.7(6) ?
C39B C40B C41B C42B . . . . 178.6(4) ?
C37B C36B C41B C40B . . . . -0.7(5) ?
C35B C36B C41B C40B . . . . 177.1(3) ?
C37B C36B C41B C42B . . . . -178.8(3) ?
C35B C36B C41B C42B . . . . -1.0(5) ?
C34B C33B C42B C41B . . . . -7.5(6) ?
C32B C33B C42B C41B . . . . 171.6(3) ?
C34B C33B C42B C22B . . . . -177.1(4) ?
C32B C33B C42B C22B . . . . 2.1(4) ?
C40B C41B C42B C33B . . . . -172.0(4) ?
C36B C41B C42B C33B . . . . 6.0(5) ?
C40B C41B C42B C22B . . . . -5.6(7) ?
C36B C41B C42B C22B . . . . 172.4(4) ?
C1B C22B C42B C33B . . . . 173.8(4) ?
C23B C22B C42B C33B . . . . -2.4(4) ?
C1B C22B C42B C41B . . . . 6.3(7) ?
C23B C22B C42B C41B . . . . -169.9(4) ?

_cod_database_fobs_code 1566375
