#------------------------------------------------------------------------------
#$Date: 2023-07-05 11:53:32 +0300 (Wed, 05 Jul 2023) $
#$Revision: 284849 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/13/15/7131573.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7131573
loop_
_publ_author_name
'Naskar, Koushik'
'Karmakar, Sudip'
'Mondal, Imtiaj'
'Sarkar, Writhabrata'
'Roy, Shantonu'
'Roy, Anupam'
'Deb, Indubhusan'
_publ_section_title
;
 Synthesis of indene-fused spiro-dibenz(ox)azepines via
 Rh(III)-catalyzed cascade regioselective C-H activation/annulation.
;
_journal_issue                   50
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              7751
_journal_page_last               7754
_journal_paper_doi               10.1039/d3cc01416a
_journal_volume                  59
_journal_year                    2023
_chemical_formula_moiety         'C34 H23 N O2'
_chemical_formula_sum            'C34 H23 N O2'
_chemical_formula_weight         477.53
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_audit_creation_date             2023-02-16
_audit_creation_method
;
Olex2 1.5-beta
(compiled 2023.01.27 svn.rdd5efbe3 for OlexSys, GUI svn.r6708)
;
_audit_update_record
;
2023-02-16 deposited with the CCDC.	2023-04-19 downloaded from the CCDC.
;
_cell_angle_alpha                65.2590(10)
_cell_angle_beta                 74.7890(10)
_cell_angle_gamma                73.1520(10)
_cell_formula_units_Z            2
_cell_length_a                   8.8451(2)
_cell_length_b                   11.9809(3)
_cell_length_c                   13.3608(3)
_cell_measurement_reflns_used    9893
_cell_measurement_temperature    100.00
_cell_measurement_theta_max      65.03
_cell_measurement_theta_min      3.69
_cell_volume                     1214.40(5)
_computing_cell_refinement       'SAINT V8.38A (Bruker, 2018)'
_computing_data_reduction        'SAINT V8.38A (Bruker, 2018)'
_computing_molecular_graphics    'Olex2 1.5-beta (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5-beta (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      100.00
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0728
_diffrn_reflns_av_unetI/netI     0.0348
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            47267
_diffrn_reflns_point_group_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        65.065
_diffrn_reflns_theta_max         65.065
_diffrn_reflns_theta_min         3.691
_diffrn_source_current           1.2
_diffrn_source_power             0.06
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.634
_exptl_absorpt_correction_T_max  0.5835
_exptl_absorpt_correction_T_min  0.4655
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1414 before and 0.0911 after correction.
The Ratio of minimum to maximum transmission is 0.7978.
The λ/2 correction factor is Not present.
;
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.306
_exptl_crystal_description       PLATE
_exptl_crystal_F_000             500
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.02
_refine_diff_density_max         0.724
_refine_diff_density_min         -0.760
_refine_diff_density_rms         0.057
_refine_ls_extinction_coef       0.0156(13)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref   1.057
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     335
_refine_ls_number_reflns         4121
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.057
_refine_ls_R_factor_all          0.0529
_refine_ls_R_factor_gt           0.0508
_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)+(0.0742P)²+0.6940P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1333
_refine_ls_wR_factor_ref         0.1354
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3921
_reflns_number_total             4121
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d3cc01416a2.cif
_cod_data_source_block           kn_01_133_re_0m_a
_cod_depositor_comments
'Adding full bibliography for 7131569--7131574.cif.'
_cod_database_code               7131573
_shelx_shelxl_version_number     2018/3
_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_max   0.987
_shelx_estimated_absorpt_t_min   0.808
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All N(H) groups
2.a Riding coordinates:
 N003(H003)
2.b Aromatic/amide H refined with riding coordinates:
 C00B(H00B), C00G(H00G), C00H(H00H), C00J(H00J), C00K(H00K), C00L(H00L),
 C00M(H00M), C00N(H00N), C00O(H00O), C00P(H00P), C00Q(H00Q), C00R(H00R),
 C00S(H00S), C00T(H00T), C00U(H00U), C00V(H00V), C00W(H00W), C00X(H00X),
 C00Y(H00Y), C00Z(H00Z), C010(H010), C011(H011)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
O001 O 1.06667(14) 0.69393(12) 0.40116(10) 0.0254(3) Uani 1 1 d . . . . .
O002 O 0.92440(14) 0.66672(11) 0.74769(10) 0.0256(3) Uani 1 1 d . . . . .
N003 N 0.84406(17) 0.56410(13) 0.62276(12) 0.0223(3) Uani 1 1 d . . . . .
H003 H 0.947254 0.563342 0.602031 0.027 Uiso 1 1 d R U . . .
C004 C 0.9319(2) 0.87569(16) 0.27067(14) 0.0228(4) Uani 1 1 d . . . . .
C005 C 0.5299(2) 0.67772(16) 0.49273(14) 0.0213(4) Uani 1 1 d . . . . .
C006 C 0.6648(2) 0.70679(16) 0.40037(14) 0.0212(4) Uani 1 1 d . . . . .
C007 C 0.6640(2) 0.72430(16) 0.28453(15) 0.0224(4) Uani 1 1 d . . . . .
C008 C 0.5691(2) 0.67702(15) 0.58799(14) 0.0212(4) Uani 1 1 d . . . . .
C009 C 0.7990(2) 0.51663(16) 0.74082(14) 0.0226(4) Uani 1 1 d . . . . .
C00A C 0.9378(2) 0.75628(16) 0.37190(14) 0.0212(4) Uani 1 1 d . . . . .
C00B C 1.0757(2) 0.89863(17) 0.19852(15) 0.0257(4) Uani 1 1 d . . . . .
H00B H 1.171940 0.837716 0.212924 0.031 Uiso 1 1 calc R U . . .
C00C C 0.7674(2) 0.79265(16) 0.59346(14) 0.0219(4) Uani 1 1 d . . . . .
C00D C 0.8370(2) 0.57244(17) 0.80108(15) 0.0234(4) Uani 1 1 d . . . . .
C00E C 0.7442(2) 0.68750(16) 0.56564(14) 0.0215(4) Uani 1 1 d . . . . .
C00F C 0.8559(2) 0.78008(17) 0.67167(14) 0.0232(4) Uani 1 1 d . . . . .
C00G C 0.3822(2) 0.65670(16) 0.49477(15) 0.0233(4) Uani 1 1 d . . . . .
H00G H 0.357669 0.654321 0.430694 0.028 Uiso 1 1 calc R U . . .
C00H C 0.5355(2) 0.80350(17) 0.22974(15) 0.0258(4) Uani 1 1 d . . . . .
H00H H 0.444830 0.842610 0.268802 0.031 Uiso 1 1 calc R U . . .
C00I C 0.7852(2) 0.71750(16) 0.43884(14) 0.0207(4) Uani 1 1 d . . . . .
C00J C 0.4573(2) 0.66157(17) 0.68502(15) 0.0244(4) Uani 1 1 d . . . . .
H00J H 0.481952 0.663474 0.749279 0.029 Uiso 1 1 calc R U . . .
C00K C 0.7942(2) 0.66596(17) 0.22632(15) 0.0248(4) Uani 1 1 d . . . . .
H00K H 0.881799 0.611278 0.262737 0.030 Uiso 1 1 calc R U . . .
C00L C 0.6992(2) 0.91508(17) 0.52965(15) 0.0246(4) Uani 1 1 d . . . . .
H00L H 0.630890 0.926637 0.480305 0.029 Uiso 1 1 calc R U . . .
C00M C 0.2713(2) 0.63923(16) 0.59286(15) 0.0248(4) Uani 1 1 d . . . . .
H00M H 0.169902 0.624529 0.595996 0.030 Uiso 1 1 calc R U . . .
C00N C 0.7924(2) 0.96603(17) 0.24847(15) 0.0263(4) Uani 1 1 d . . . . .
H00N H 0.693904 0.951234 0.296403 0.032 Uiso 1 1 calc R U . . .
C00O C 0.7193(2) 0.41762(17) 0.79890(15) 0.0263(4) Uani 1 1 d . . . . .
H00O H 0.691153 0.378953 0.759054 0.032 Uiso 1 1 calc R U . . .
C00P C 0.7972(2) 0.68708(18) 0.11542(16) 0.0287(4) Uani 1 1 d . . . . .
H00P H 0.886276 0.646415 0.076557 0.034 Uiso 1 1 calc R U . . .
C00Q C 0.5399(2) 0.82520(18) 0.11867(16) 0.0290(4) Uani 1 1 d . . . . .
H00Q H 0.452870 0.880031 0.081709 0.035 Uiso 1 1 calc R U . . .
C00R C 0.3079(2) 0.64317(17) 0.68635(15) 0.0264(4) Uani 1 1 d . . . . .
H00R H 0.230002 0.633178 0.752068 0.032 Uiso 1 1 calc R U . . .
C00S C 0.7265(2) 1.02005(18) 0.53515(16) 0.0280(4) Uani 1 1 d . . . . .
H00S H 0.679117 1.101763 0.489541 0.034 Uiso 1 1 calc R U . . .
C00T C 0.7961(2) 1.07777(18) 0.15670(16) 0.0303(4) Uani 1 1 d . . . . .
H00T H 0.700540 1.139629 0.142764 0.036 Uiso 1 1 calc R U . . .
C00U C 0.8858(2) 0.88528(18) 0.67706(16) 0.0285(4) Uani 1 1 d . . . . .
H00U H 0.949431 0.874642 0.728907 0.034 Uiso 1 1 calc R U . . .
C00V C 0.7977(2) 0.53080(18) 0.91673(15) 0.0285(4) Uani 1 1 d . . . . .
H00V H 0.824388 0.570149 0.956612 0.034 Uiso 1 1 calc R U . . .
C00W C 0.9391(2) 1.09937(18) 0.08521(16) 0.0314(4) Uani 1 1 d . . . . .
H00W H 0.941339 1.175518 0.022023 0.038 Uiso 1 1 calc R U . . .
C00X C 0.8239(2) 1.00485(18) 0.60788(16) 0.0300(4) Uani 1 1 d . . . . .
H00X H 0.847862 1.075988 0.610172 0.036 Uiso 1 1 calc R U . . .
C00Y C 1.0785(2) 1.00946(18) 0.10637(16) 0.0305(4) Uani 1 1 d . . . . .
H00Y H 1.176426 1.023958 0.057433 0.037 Uiso 1 1 calc R U . . .
C00Z C 0.6707(2) 0.76724(19) 0.06138(16) 0.0301(4) Uani 1 1 d . . . . .
H00Z H 0.673470 0.782460 -0.014745 0.036 Uiso 1 1 calc R U . . .
C010 C 0.7191(2) 0.43107(19) 0.97362(16) 0.0324(5) Uani 1 1 d . . . . .
H010 H 0.691978 0.401698 1.052708 0.039 Uiso 1 1 calc R U . . .
C011 C 0.6803(2) 0.37470(18) 0.91446(16) 0.0310(4) Uani 1 1 d . . . . .
H011 H 0.626920 0.306373 0.953190 0.037 Uiso 1 1 calc R U . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 '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
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C00D O002 C00F 118.39(13) . . ?
C009 N003 H003 112.5 . . ?
C009 N003 C00E 113.64(13) . . ?
C00E N003 H003 112.6 . . ?
C00B C004 C00A 117.90(16) . . ?
C00N C004 C00A 123.04(16) . . ?
C00N C004 C00B 118.99(17) . . ?
C008 C005 C006 108.39(15) . . ?
C00G C005 C006 130.50(16) . . ?
C00G C005 C008 121.09(16) . . ?
C007 C006 C005 124.44(15) . . ?
C00I C006 C005 109.21(15) . . ?
C00I C006 C007 126.33(16) . . ?
C00H C007 C006 120.72(15) . . ?
C00K C007 C006 120.38(15) . . ?
C00K C007 C00H 118.86(16) . . ?
C005 C008 C00E 109.70(14) . . ?
C00J C008 C005 120.18(16) . . ?
C00J C008 C00E 130.03(16) . . ?
C00D C009 N003 118.01(16) . . ?
C00D C009 C00O 118.45(16) . . ?
C00O C009 N003 123.54(16) . . ?
O001 C00A C004 120.17(16) . . ?
O001 C00A C00I 120.55(16) . . ?
C00I C00A C004 119.23(15) . . ?
C004 C00B H00B 119.8 . . ?
C00Y C00B C004 120.41(17) . . ?
C00Y C00B H00B 119.8 . . ?
C00F C00C C00E 127.21(16) . . ?
C00L C00C C00E 116.25(15) . . ?
C00L C00C C00F 116.46(16) . . ?
O002 C00D C009 120.62(15) . . ?
O002 C00D C00V 117.90(16) . . ?
C009 C00D C00V 121.37(17) . . ?
N003 C00E C008 110.34(14) . . ?
N003 C00E C00C 112.29(14) . . ?
N003 C00E C00I 108.46(13) . . ?
C008 C00E C00C 113.51(14) . . ?
C008 C00E C00I 100.69(13) . . ?
C00C C00E C00I 110.87(14) . . ?
O002 C00F C00C 125.24(16) . . ?
O002 C00F C00U 113.86(15) . . ?
C00U C00F C00C 120.88(16) . . ?
C005 C00G H00G 120.8 . . ?
C005 C00G C00M 118.49(16) . . ?
C00M C00G H00G 120.8 . . ?
C007 C00H H00H 119.8 . . ?
C00Q C00H C007 120.34(17) . . ?
C00Q C00H H00H 119.8 . . ?
C006 C00I C00A 126.99(16) . . ?
C006 C00I C00E 111.09(15) . . ?
C00A C00I C00E 121.90(14) . . ?
C008 C00J H00J 120.7 . . ?
C008 C00J C00R 118.69(16) . . ?
C00R C00J H00J 120.7 . . ?
C007 C00K H00K 119.7 . . ?
C00P C00K C007 120.52(17) . . ?
C00P C00K H00K 119.7 . . ?
C00C C00L H00L 118.5 . . ?
C00S C00L C00C 122.91(17) . . ?
C00S C00L H00L 118.5 . . ?
C00G C00M H00M 119.8 . . ?
C00R C00M C00G 120.45(16) . . ?
C00R C00M H00M 119.8 . . ?
C004 C00N H00N 119.8 . . ?
C00T C00N C004 120.41(17) . . ?
C00T C00N H00N 119.8 . . ?
C009 C00O H00O 119.7 . . ?
C011 C00O C009 120.69(17) . . ?
C011 C00O H00O 119.7 . . ?
C00K C00P H00P 119.9 . . ?
C00Z C00P C00K 120.19(17) . . ?
C00Z C00P H00P 119.9 . . ?
C00H C00Q H00Q 119.9 . . ?
C00Z C00Q C00H 120.27(17) . . ?
C00Z C00Q H00Q 119.9 . . ?
C00J C00R H00R 119.5 . . ?
C00M C00R C00J 121.03(17) . . ?
C00M C00R H00R 119.5 . . ?
C00L C00S H00S 120.4 . . ?
C00L C00S C00X 119.28(17) . . ?
C00X C00S H00S 120.4 . . ?
C00N C00T H00T 119.9 . . ?
C00W C00T C00N 120.18(18) . . ?
C00W C00T H00T 119.9 . . ?
C00F C00U H00U 119.6 . . ?
C00X C00U C00F 120.78(17) . . ?
C00X C00U H00U 119.6 . . ?
C00D C00V H00V 120.3 . . ?
C00D C00V C010 119.46(18) . . ?
C010 C00V H00V 120.3 . . ?
C00T C00W H00W 120.1 . . ?
C00Y C00W C00T 119.76(18) . . ?
C00Y C00W H00W 120.1 . . ?
C00S C00X H00X 120.3 . . ?
C00U C00X C00S 119.39(17) . . ?
C00U C00X H00X 120.3 . . ?
C00B C00Y C00W 120.24(18) . . ?
C00B C00Y H00Y 119.9 . . ?
C00W C00Y H00Y 119.9 . . ?
C00P C00Z C00Q 119.81(17) . . ?
C00P C00Z H00Z 120.1 . . ?
C00Q C00Z H00Z 120.1 . . ?
C00V C010 H010 120.1 . . ?
C011 C010 C00V 119.72(18) . . ?
C011 C010 H010 120.1 . . ?
C00O C011 H011 119.9 . . ?
C010 C011 C00O 120.30(18) . . ?
C010 C011 H011 119.9 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
O001 C00A 1.227(2) . ?
O002 C00D 1.388(2) . ?
O002 C00F 1.391(2) . ?
N003 H003 0.8801 . ?
N003 C009 1.422(2) . ?
N003 C00E 1.484(2) . ?
C004 C00A 1.501(2) . ?
C004 C00B 1.400(2) . ?
C004 C00N 1.390(3) . ?
C005 C006 1.475(2) . ?
C005 C008 1.400(2) . ?
C005 C00G 1.392(2) . ?
C006 C007 1.474(2) . ?
C006 C00I 1.355(2) . ?
C007 C00H 1.399(2) . ?
C007 C00K 1.393(3) . ?
C008 C00E 1.530(2) . ?
C008 C00J 1.388(2) . ?
C009 C00D 1.390(3) . ?
C009 C00O 1.391(3) . ?
C00A C00I 1.490(2) . ?
C00B H00B 0.9500 . ?
C00B C00Y 1.384(3) . ?
C00C C00E 1.533(2) . ?
C00C C00F 1.398(2) . ?
C00C C00L 1.397(2) . ?
C00D C00V 1.389(3) . ?
C00E C00I 1.541(2) . ?
C00F C00U 1.394(3) . ?
C00G H00G 0.9500 . ?
C00G C00M 1.392(2) . ?
C00H H00H 0.9500 . ?
C00H C00Q 1.387(3) . ?
C00J H00J 0.9500 . ?
C00J C00R 1.396(3) . ?
C00K H00K 0.9500 . ?
C00K C00P 1.389(3) . ?
C00L H00L 0.9500 . ?
C00L C00S 1.382(3) . ?
C00M H00M 0.9500 . ?
C00M C00R 1.392(3) . ?
C00N H00N 0.9500 . ?
C00N C00T 1.388(3) . ?
C00O H00O 0.9500 . ?
C00O C011 1.388(3) . ?
C00P H00P 0.9500 . ?
C00P C00Z 1.384(3) . ?
C00Q H00Q 0.9500 . ?
C00Q C00Z 1.386(3) . ?
C00R H00R 0.9500 . ?
C00S H00S 0.9500 . ?
C00S C00X 1.385(3) . ?
C00T H00T 0.9500 . ?
C00T C00W 1.389(3) . ?
C00U H00U 0.9500 . ?
C00U C00X 1.382(3) . ?
C00V H00V 0.9500 . ?
C00V C010 1.391(3) . ?
C00W H00W 0.9500 . ?
C00W C00Y 1.385(3) . ?
C00X H00X 0.9500 . ?
C00Y H00Y 0.9500 . ?
C00Z H00Z 0.9500 . ?
C010 H010 0.9500 . ?
C010 C011 1.386(3) . ?
C011 H011 0.9500 . ?
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
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O001 C00A C00I C006 -130.67(19) . . . . ?
O001 C00A C00I C00E 51.2(2) . . . . ?
O002 C00D C00V C010 -175.94(16) . . . . ?
O002 C00F C00U C00X -179.10(16) . . . . ?
N003 C009 C00D O002 -3.7(2) . . . . ?
N003 C009 C00D C00V -179.62(15) . . . . ?
N003 C009 C00O C011 179.21(16) . . . . ?
N003 C00E C00I C006 107.89(16) . . . . ?
N003 C00E C00I C00A -73.75(19) . . . . ?
C004 C00A C00I C006 51.9(2) . . . . ?
C004 C00A C00I C00E -126.18(17) . . . . ?
C004 C00B C00Y C00W 0.6(3) . . . . ?
C004 C00N C00T C00W 1.0(3) . . . . ?
C005 C006 C007 C00H 48.9(2) . . . . ?
C005 C006 C007 C00K -133.68(18) . . . . ?
C005 C006 C00I C00A -174.62(16) . . . . ?
C005 C006 C00I C00E 3.64(19) . . . . ?
C005 C008 C00E N003 -104.85(16) . . . . ?
C005 C008 C00E C00C 128.10(16) . . . . ?
C005 C008 C00E C00I 9.58(17) . . . . ?
C005 C008 C00J C00R 1.9(3) . . . . ?
C005 C00G C00M C00R 0.2(3) . . . . ?
C006 C005 C008 C00E -8.12(19) . . . . ?
C006 C005 C008 C00J 175.03(15) . . . . ?
C006 C005 C00G C00M -175.68(17) . . . . ?
C006 C007 C00H C00Q 176.20(16) . . . . ?
C006 C007 C00K C00P -176.87(16) . . . . ?
C007 C006 C00I C00A 3.9(3) . . . . ?
C007 C006 C00I C00E -177.88(15) . . . . ?
C007 C00H C00Q C00Z 0.9(3) . . . . ?
C007 C00K C00P C00Z 0.4(3) . . . . ?
C008 C005 C006 C007 -175.68(15) . . . . ?
C008 C005 C006 C00I 2.8(2) . . . . ?
C008 C005 C00G C00M 2.2(3) . . . . ?
C008 C00E C00I C006 -7.96(18) . . . . ?
C008 C00E C00I C00A 170.41(15) . . . . ?
C008 C00J C00R C00M 0.5(3) . . . . ?
C009 N003 C00E C008 -60.97(18) . . . . ?
C009 N003 C00E C00C 66.75(18) . . . . ?
C009 N003 C00E C00I -170.38(14) . . . . ?
C009 C00D C00V C010 0.1(3) . . . . ?
C009 C00O C011 C010 0.7(3) . . . . ?
C00A C004 C00B C00Y -177.38(16) . . . . ?
C00A C004 C00N C00T 176.43(16) . . . . ?
C00B C004 C00A O001 13.7(2) . . . . ?
C00B C004 C00A C00I -168.90(15) . . . . ?
C00B C004 C00N C00T -0.6(3) . . . . ?
C00C C00E C00I C006 -128.38(16) . . . . ?
C00C C00E C00I C00A 50.0(2) . . . . ?
C00C C00F C00U C00X 2.3(3) . . . . ?
C00C C00L C00S C00X -0.9(3) . . . . ?
C00D O002 C00F C00C -41.2(2) . . . . ?
C00D O002 C00F C00U 140.27(16) . . . . ?
C00D C009 C00O C011 -0.8(3) . . . . ?
C00D C00V C010 C011 -0.2(3) . . . . ?
C00E N003 C009 C00D -73.67(19) . . . . ?
C00E N003 C009 C00O 106.36(19) . . . . ?
C00E C008 C00J C00R -174.25(16) . . . . ?
C00E C00C C00F O002 -7.7(3) . . . . ?
C00E C00C C00F C00U 170.69(16) . . . . ?
C00E C00C C00L C00S -171.68(16) . . . . ?
C00F O002 C00D C009 65.3(2) . . . . ?
C00F O002 C00D C00V -118.56(17) . . . . ?
C00F C00C C00E N003 -6.8(2) . . . . ?
C00F C00C C00E C008 119.19(19) . . . . ?
C00F C00C C00E C00I -128.33(18) . . . . ?
C00F C00C C00L C00S 5.3(3) . . . . ?
C00F C00U C00X C00S 2.2(3) . . . . ?
C00G C005 C006 C007 2.4(3) . . . . ?
C00G C005 C006 C00I -179.05(17) . . . . ?
C00G C005 C008 C00E 173.54(15) . . . . ?
C00G C005 C008 C00J -3.3(3) . . . . ?
C00G C00M C00R C00J -1.6(3) . . . . ?
C00H C007 C00K C00P 0.6(3) . . . . ?
C00H C00Q C00Z C00P 0.2(3) . . . . ?
C00I C006 C007 C00H -129.38(19) . . . . ?
C00I C006 C007 C00K 48.1(3) . . . . ?
C00J C008 C00E N003 71.6(2) . . . . ?
C00J C008 C00E C00C -55.5(2) . . . . ?
C00J C008 C00E C00I -173.98(17) . . . . ?
C00K C007 C00H C00Q -1.3(3) . . . . ?
C00K C00P C00Z C00Q -0.8(3) . . . . ?
C00L C00C C00E N003 169.74(14) . . . . ?
C00L C00C C00E C008 -64.2(2) . . . . ?
C00L C00C C00E C00I 48.2(2) . . . . ?
C00L C00C C00F O002 175.72(15) . . . . ?
C00L C00C C00F C00U -5.9(3) . . . . ?
C00L C00S C00X C00U -2.9(3) . . . . ?
C00N C004 C00A O001 -163.39(17) . . . . ?
C00N C004 C00A C00I 14.0(2) . . . . ?
C00N C004 C00B C00Y -0.2(3) . . . . ?
C00N C00T C00W C00Y -0.6(3) . . . . ?
C00O C009 C00D O002 176.32(15) . . . . ?
C00O C009 C00D C00V 0.4(3) . . . . ?
C00T C00W C00Y C00B -0.2(3) . . . . ?
C00V C010 C011 C00O -0.2(3) . . . . ?
