#------------------------------------------------------------------------------
#$Date: 2016-02-20 05:06:23 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176774 $
#$URL: svn://www.crystallography.net/cod/cif/2/20/23/2202398.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_2202398
loop_
_publ_author_name
'M. M. Govind'
'S. Selvanayagam'
'D. Velmurugan'
'K. Ravikumar'
'R. Rathna Durga'
'R. Raghunathan'
_publ_section_title
1,2,3,4-Tetrahydro-4'-furfuryl-1'-methylnaphthalene-2-spiro-3'-pyrrolidine-2'-spiro-1''-acenaphthene-1,2''-dione
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o1875
_journal_page_last               o1877
_journal_paper_doi               10.1107/S1600536803024711
_journal_volume                  59
_journal_year                    2003
_chemical_formula_iupac          'C29 H23 N O3'
_chemical_formula_moiety         'C29 H23 N O3'
_chemical_formula_sum            'C29 H23 N O3'
_chemical_formula_weight         433.48
_chemical_name_systematic
;
1,2,3,4-Tetrahydro-4'-furfuryl-1'-methylnaphthene-2-spiro-3'-pyrrolidine-2'-
spiro-1''-acenaphthene-1,2''-dione
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 103.9930(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.9109(7)
_cell_length_b                   11.3292(7)
_cell_length_c                   17.3573(10)
_cell_measurement_reflns_used    4019
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.75
_cell_measurement_theta_min      2.17
_cell_volume                     2272.7(2)
_computing_cell_refinement       'SAINT (Bruker, 2001)'
_computing_data_collection       'SMART (Bruker, 2001)'
_computing_data_reduction        SAINT
_computing_molecular_graphics
;
ZORTEP (Zsolnai, 1997) and PLATON (Spek, 1990)
;
_computing_publication_material  'SHELXL97 and PARST (Nardelli, 1995)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.946
_diffrn_measured_fraction_theta_max 0.906
_diffrn_measurement_device       'Bruker SMART APEX area-detector'
_diffrn_measurement_device_type  'CCD Area Detector'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0215
_diffrn_reflns_av_sigmaI/netI    0.0283
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            14010
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         28.01
_diffrn_reflns_theta_min         1.76
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.082
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    1.267
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Needle
_exptl_crystal_F_000             912
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.13
_refine_diff_density_max         0.331
_refine_diff_density_min         -0.254
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.000
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     298
_refine_ls_number_reflns         5225
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.000
_refine_ls_R_factor_all          0.0807
_refine_ls_R_factor_gt           0.0554
_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)+(0.1086P)²+0.3011P] where P = (Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1642
_refine_ls_wR_factor_ref         0.1869
_reflns_number_gt                3529
_reflns_number_total             5225
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            bt6369.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'none' was changed to '?' - the
value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2202398
_cod_database_fobs_code          2202398
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
loop_
_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_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_type_symbol
N1 0.65564(14) 0.82744(15) 0.11365(9) 0.0613(4) Uani d . 1 . . N
C2 0.71796(15) 0.80494(15) 0.05206(10) 0.0500(4) Uani d . 1 . . C
C3 0.81151(15) 0.70973(15) 0.09329(10) 0.0486(4) Uani d . 1 . . C
C4 0.82280(16) 0.73191(16) 0.18471(10) 0.0529(4) Uani d . 1 . . C
H4 0.7895 0.6626 0.2047 0.064 Uiso calc R 1 . . H
C5 0.74264(18) 0.8347(2) 0.18878(11) 0.0656(5) Uani d . 1 . . C
H5A 0.7076 0.8264 0.2335 0.079 Uiso calc R 1 . . H
H5B 0.7839 0.9092 0.1934 0.079 Uiso calc R 1 . . H
C6 0.63491(15) 0.77233(15) -0.02642(10) 0.0499(4) Uani d . 1 . . C
C7 0.55041(17) 0.69020(18) -0.04559(12) 0.0622(5) Uani d . 1 . . C
H7 0.5354 0.6400 -0.0069 0.075 Uiso calc R 1 . . H
C8 0.4850(2) 0.6814(2) -0.12521(14) 0.0742(6) Uani d . 1 . . C
H8 0.4274 0.6243 -0.1381 0.089 Uiso calc R 1 . . H
C9 0.5038(2) 0.7539(2) -0.18352(13) 0.0757(6) Uani d . 1 . . C
H9 0.4604 0.7445 -0.2354 0.091 Uiso calc R 1 . . H
C10 0.58824(18) 0.84282(18) -0.16562(11) 0.0619(5) Uani d . 1 . . C
C11 0.6165(2) 0.9272(2) -0.21738(13) 0.0771(7) Uani d . 1 . . C
H11 0.5791 0.9251 -0.2710 0.093 Uiso calc R 1 . . H
C12 0.6969(2) 1.0109(2) -0.19060(14) 0.0812(7) Uani d . 1 . . C
H12 0.7126 1.0654 -0.2266 0.097 Uiso calc R 1 . . H
C13 0.7585(2) 1.01967(19) -0.10996(14) 0.0732(6) Uani d . 1 . . C
H13 0.8133 1.0785 -0.0927 0.088 Uiso calc R 1 . . H
C14 0.73351(17) 0.93692(16) -0.05835(11) 0.0567(5) Uani d . 1 . . C
C15 0.65123(16) 0.84995(15) -0.08621(10) 0.0518(4) Uani d . 1 . . C
C16 0.77859(18) 0.91784(16) 0.02799(12) 0.0596(5) Uani d . 1 . . C
C17 0.76012(15) 0.58683(15) 0.07125(10) 0.0501(4) Uani d . 1 . . C
C18 0.77875(17) 0.52910(17) -0.00150(11) 0.0572(5) Uani d . 1 . . C
C19 0.7186(2) 0.42524(19) -0.02707(13) 0.0721(6) Uani d . 1 . . C
H19 0.6736 0.3905 0.0037 0.086 Uiso calc R 1 . . H
C20 0.7256(3) 0.3733(2) -0.09830(16) 0.0906(8) Uani d . 1 . . C
H20 0.6852 0.3042 -0.1155 0.109 Uiso calc R 1 . . H
C21 0.7932(3) 0.4253(3) -0.14321(15) 0.0959(9) Uani d . 1 . . C
H21 0.7969 0.3918 -0.1914 0.115 Uiso calc R 1 . . H
C22 0.8543(2) 0.5251(3) -0.11766(13) 0.0838(8) Uani d . 1 . . C
H22 0.9003 0.5578 -0.1485 0.101 Uiso calc R 1 . . H
C23 0.84983(18) 0.58022(19) -0.04587(11) 0.0628(5) Uani d . 1 . . C
C24 0.91809(19) 0.6885(2) -0.01773(13) 0.0695(6) Uani d . 1 . . C
H24A 0.8824 0.7551 -0.0495 0.083 Uiso calc R 1 . . H
H24B 0.9954 0.6791 -0.0257 0.083 Uiso calc R 1 . . H
C25 0.92695(17) 0.71563(19) 0.06958(12) 0.0614(5) Uani d . 1 . . C
H25A 0.9593 0.7940 0.0813 0.074 Uiso calc R 1 . . H
H25B 0.9802 0.6600 0.1018 0.074 Uiso calc R 1 . . H
C26 0.94074(17) 0.74678(16) 0.23608(11) 0.0580(5) Uani d . 1 . . C
C27 0.99912(19) 0.66839(18) 0.28728(13) 0.0680(6) Uani d . 1 . . C
H27 0.9751 0.5922 0.2953 0.082 Uiso calc R 1 . . H
C28 1.1035(2) 0.7211(3) 0.32708(16) 0.0969(9) Uani d . 1 . . C
H28 1.1610 0.6868 0.3667 0.116 Uiso calc R 1 . . H
C29 1.1051(2) 0.8266(3) 0.29826(16) 0.0899(8) Uani d . 1 . . C
H29 1.1652 0.8805 0.3138 0.108 Uiso calc R 1 . . H
O30 1.00188(16) 0.84744(14) 0.23981(10) 0.0847(5) Uani d . 1 . . O
C31 0.5751(2) 0.9259(2) 0.09961(15) 0.0866(7) Uani d . 1 . . C
H31A 0.5392 0.9329 0.1433 0.130 Uiso calc R 1 . . H
H31B 0.5168 0.9124 0.0515 0.130 Uiso calc R 1 . . H
H31C 0.6160 0.9974 0.0947 0.130 Uiso calc R 1 . . H
O32 0.84673(16) 0.97926(14) 0.07339(10) 0.0885(5) Uani d . 1 . . O
O33 0.70311(13) 0.53766(12) 0.11107(8) 0.0651(4) Uani d . 1 . . O
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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 '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_publ_flag
C31 N1 C5 113.8(2) y
C31 N1 C2 116.2(2) y
C5 N1 C2 106.70(10) y
N1 C2 C6 111.17(15) ?
N1 C2 C16 113.49(15) ?
C6 C2 C16 101.55(13) ?
N1 C2 C3 102.31(13) ?
C6 C2 C3 118.07(14) ?
C16 C2 C3 110.72(14) ?
C25 C3 C17 107.67(14) ?
C25 C3 C4 113.56(14) ?
C17 C3 C4 109.10(14) ?
C25 C3 C2 115.27(14) ?
C17 C3 C2 108.05(13) ?
C4 C3 C2 102.95(13) ?
C26 C4 C5 113.60(15) ?
C26 C4 C3 117.45(16) ?
C5 C4 C3 105.49(13) ?
C26 C4 H4 106.5 ?
C5 C4 H4 106.5 ?
C3 C4 H4 106.5 ?
N1 C5 C4 103.51(15) ?
N1 C5 H5A 111.1 ?
C4 C5 H5A 111.1 ?
N1 C5 H5B 111.1 ?
C4 C5 H5B 111.1 ?
H5A C5 H5B 109.0 ?
C7 C6 C15 118.37(17) ?
C7 C6 C2 132.16(16) ?
C15 C6 C2 109.39(15) ?
C6 C7 C8 119.32(19) ?
C6 C7 H7 120.3 ?
C8 C7 H7 120.3 ?
C9 C8 C7 122.1(2) ?
C9 C8 H8 118.9 ?
C7 C8 H8 118.9 ?
C8 C9 C10 120.33(19) ?
C8 C9 H9 119.8 ?
C10 C9 H9 119.8 ?
C15 C10 C9 116.29(18) ?
C15 C10 C11 115.7(2) ?
C9 C10 C11 128.0(2) ?
C12 C11 C10 121.2(2) ?
C12 C11 H11 119.4 ?
C10 C11 H11 119.4 ?
C11 C12 C13 123.0(2) ?
C11 C12 H12 118.5 ?
C13 C12 H12 118.5 ?
C14 C13 C12 116.9(2) ?
C14 C13 H13 121.6 ?
C12 C13 H13 121.6 ?
C13 C14 C15 120.04(19) ?
C13 C14 C16 132.4(2) ?
C15 C14 C16 107.51(16) ?
C14 C15 C10 123.13(17) ?
C14 C15 C6 113.39(16) ?
C10 C15 C6 123.46(18) ?
O32 C16 C14 126.81(19) ?
O32 C16 C2 125.09(18) ?
C14 C16 C2 108.05(16) ?
O33 C17 C18 120.04(17) ?
O33 C17 C3 121.28(15) ?
C18 C17 C3 118.66(15) ?
C19 C18 C23 120.45(19) ?
C19 C18 C17 118.14(19) ?
C23 C18 C17 121.32(18) ?
C20 C19 C18 120.3(3) ?
C20 C19 H19 119.9 ?
C18 C19 H19 119.9 ?
C21 C20 C19 119.3(3) ?
C21 C20 H20 120.3 ?
C19 C20 H20 120.3 ?
C22 C21 C20 120.7(2) ?
C22 C21 H21 119.7 ?
C20 C21 H21 119.7 ?
C21 C22 C23 121.8(3) ?
C21 C22 H22 119.1 ?
C23 C22 H22 119.1 ?
C18 C23 C22 117.4(2) ?
C18 C23 C24 121.05(17) ?
C22 C23 C24 121.5(2) ?
C23 C24 C25 113.16(17) ?
C23 C24 H24A 108.9 ?
C25 C24 H24A 108.9 ?
C23 C24 H24B 108.9 ?
C25 C24 H24B 108.9 ?
H24A C24 H24B 107.8 ?
C24 C25 C3 114.08(16) ?
C24 C25 H25A 108.7 ?
C3 C25 H25A 108.7 ?
C24 C25 H25B 108.7 ?
C3 C25 H25B 108.7 ?
H25A C25 H25B 107.6 ?
C27 C26 O30 110.17(18) ?
C27 C26 C4 126.45(18) ?
O30 C26 C4 123.29(17) ?
C26 C27 C28 107.7(2) ?
C26 C27 H27 126.2 ?
C28 C27 H27 126.2 ?
C29 C28 C27 107.2(2) ?
C29 C28 H28 126.4 ?
C27 C28 H28 126.4 ?
C28 C29 O30 109.9(2) ?
C28 C29 H29 125.0 ?
O30 C29 H29 125.0 ?
C26 O30 C29 105.05(18) ?
N1 C31 H31A 109.5 ?
N1 C31 H31B 109.5 ?
H31A C31 H31B 109.5 ?
N1 C31 H31C 109.5 ?
H31A C31 H31C 109.5 ?
H31B C31 H31C 109.5 ?
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
N1 C31 . 1.453(3) ?
N1 C5 . 1.459(2) y
N1 C2 . 1.464(2) y
C2 C6 . 1.523(2) ?
C2 C16 . 1.574(3) ?
C2 C3 . 1.591(2) y
C3 C25 . 1.529(3) ?
C3 C17 . 1.532(2) ?
C3 C4 . 1.580(2) ?
C4 C26 . 1.480(3) ?
C4 C5 . 1.519(3) ?
C4 H4 . 0.9800 ?
C5 H5A . 0.9700 ?
C5 H5B . 0.9700 ?
C6 C7 . 1.352(3) ?
C6 C15 . 1.409(2) ?
C7 C8 . 1.416(3) ?
C7 H7 . 0.9300 ?
C8 C9 . 1.363(3) ?
C8 H8 . 0.9300 ?
C9 C10 . 1.404(3) ?
C9 H9 . 0.9300 ?
C10 C15 . 1.403(3) ?
C10 C11 . 1.407(3) ?
C11 C12 . 1.348(4) ?
C11 H11 . 0.9300 ?
C12 C13 . 1.418(3) ?
C12 H12 . 0.9300 ?
C13 C14 . 1.378(3) ?
C13 H13 . 0.9300 ?
C14 C15 . 1.391(3) ?
C14 C16 . 1.481(3) ?
C16 O32 . 1.206(2) ?
C17 O33 . 1.215(2) ?
C17 C18 . 1.486(2) ?
C18 C19 . 1.393(3) ?
C18 C23 . 1.400(3) ?
C19 C20 . 1.390(3) ?
C19 H19 . 0.9300 ?
C20 C21 . 1.381(4) ?
C20 H20 . 0.9300 ?
C21 C22 . 1.359(4) ?
C21 H21 . 0.9300 ?
C22 C23 . 1.406(3) ?
C22 H22 . 0.9300 ?
C23 C24 . 1.488(3) ?
C24 C25 . 1.525(3) ?
C24 H24A . 0.9700 ?
C24 H24B . 0.9700 ?
C25 H25A . 0.9700 ?
C25 H25B . 0.9700 ?
C26 C27 . 1.328(3) ?
C26 O30 . 1.346(2) ?
C27 C28 . 1.402(3) ?
C27 H27 . 0.9300 ?
C28 C29 . 1.297(4) ?
C28 H28 . 0.9300 ?
C29 O30 . 1.412(3) ?
C29 H29 . 0.9300 ?
C31 H31A . 0.9600 ?
C31 H31B . 0.9600 ?
C31 H31C . 0.9600 ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
C4 H4 O33 . 0.98 2.21 2.762(2) 114
C5 H5B O32 . 0.97 2.51 3.071(3) 117
C25 H25A O32 . 0.97 2.48 3.141(3) 126
C29 H29 O33 2_755 0.93 2.52 3.417(3) 163
C28 H28 O32 2_745 0.93 2.58 3.217(4) 126
C8 H8 O33 3_665 0.93 2.52 3.392(3) 156
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_publ_flag
C31 N1 C2 C6 -62.7(2) ?
C5 N1 C2 C6 169.12(15) ?
C31 N1 C2 C16 51.0(2) ?
C5 N1 C2 C16 -77.15(19) ?
C31 N1 C2 C3 170.34(18) ?
C5 N1 C2 C3 42.17(18) ?
N1 C2 C3 C25 -147.57(16) ?
C6 C2 C3 C25 90.06(19) ?
C16 C2 C3 C25 -26.3(2) ?
N1 C2 C3 C17 91.98(16) ?
C6 C2 C3 C17 -30.4(2) ?
C16 C2 C3 C17 -146.78(15) ?
N1 C2 C3 C4 -23.37(17) ?
C6 C2 C3 C4 -145.74(15) ?
C16 C2 C3 C4 97.88(16) ?
C25 C3 C4 C26 -4.2(2) ?
C17 C3 C4 C26 115.93(16) ?
C2 C3 C4 C26 -129.48(16) ?
C25 C3 C4 C5 123.58(17) ?
C17 C3 C4 C5 -116.32(16) ?
C2 C3 C4 C5 -1.73(18) ?
C31 N1 C5 C4 -173.55(18) ?
C2 N1 C5 C4 -44.0(2) ?
C26 C4 C5 N1 156.49(16) ?
C3 C4 C5 N1 26.5(2) ?
N1 C2 C6 C7 -52.4(3) ?
C16 C2 C6 C7 -173.4(2) ?
C3 C2 C6 C7 65.3(3) ?
N1 C2 C6 C15 124.17(16) ?
C16 C2 C6 C15 3.14(18) ?
C3 C2 C6 C15 -118.08(16) ?
C15 C6 C7 C8 2.8(3) ?
C2 C6 C7 C8 179.13(19) ?
C6 C7 C8 C9 -0.5(3) ?
C7 C8 C9 C10 -1.5(4) ?
C8 C9 C10 C15 1.0(3) ?
C8 C9 C10 C11 -177.9(2) ?
C15 C10 C11 C12 -1.9(3) ?
C9 C10 C11 C12 177.0(2) ?
C10 C11 C12 C13 0.5(4) ?
C11 C12 C13 C14 0.4(4) ?
C12 C13 C14 C15 0.1(3) ?
C12 C13 C14 C16 -179.9(2) ?
C13 C14 C15 C10 -1.7(3) ?
C16 C14 C15 C10 178.37(17) ?
C13 C14 C15 C6 -179.73(17) ?
C16 C14 C15 C6 0.3(2) ?
C9 C10 C15 C14 -176.56(18) ?
C11 C10 C15 C14 2.5(3) ?
C9 C10 C15 C6 1.3(3) ?
C11 C10 C15 C6 -179.60(17) ?
C7 C6 C15 C14 174.79(17) ?
C2 C6 C15 C14 -2.3(2) ?
C7 C6 C15 C10 -3.3(3) ?
C2 C6 C15 C10 179.59(16) ?
C13 C14 C16 O32 4.2(4) ?
C15 C14 C16 O32 -175.8(2) ?
C13 C14 C16 C2 -178.2(2) ?
C15 C14 C16 C2 1.8(2) ?
N1 C2 C16 O32 55.3(3) ?
C6 C2 C16 O32 174.7(2) ?
C3 C2 C16 O32 -59.1(3) ?
N1 C2 C16 C14 -122.35(16) ?
C6 C2 C16 C14 -2.96(19) ?
C3 C2 C16 C14 123.26(16) ?
C25 C3 C17 O33 146.39(17) ?
C4 C3 C17 O33 22.7(2) ?
C2 C3 C17 O33 -88.50(19) ?
C25 C3 C17 C18 -35.11(19) ?
C4 C3 C17 C18 -158.77(15) ?
C2 C3 C17 C18 89.99(17) ?
O33 C17 C18 C19 7.3(3) ?
C3 C17 C18 C19 -171.23(16) ?
O33 C17 C18 C23 -176.03(17) ?
C3 C17 C18 C23 5.5(2) ?
C23 C18 C19 C20 -2.1(3) ?
C17 C18 C19 C20 174.60(19) ?
C18 C19 C20 C21 0.3(4) ?
C19 C20 C21 C22 1.3(4) ?
C20 C21 C22 C23 -1.1(4) ?
C19 C18 C23 C22 2.2(3) ?
C17 C18 C23 C22 -174.39(17) ?
C19 C18 C23 C24 -177.62(17) ?
C17 C18 C23 C24 5.8(3) ?
C21 C22 C23 C18 -0.6(3) ?
C21 C22 C23 C24 179.2(2) ?
C18 C23 C24 C25 15.1(3) ?
C22 C23 C24 C25 -164.74(18) ?
C23 C24 C25 C3 -47.8(2) ?
C17 C3 C25 C24 56.3(2) ?
C4 C3 C25 C24 177.21(16) ?
C2 C3 C25 C24 -64.4(2) ?
C5 C4 C26 C27 130.4(2) ?
C3 C4 C26 C27 -105.9(2) ?
C5 C4 C26 O30 -45.9(3) y
C3 C4 C26 O30 77.8(2) ?
O30 C26 C27 C28 0.5(3) ?
C4 C26 C27 C28 -176.1(2) ?
C26 C27 C28 C29 -0.9(3) ?
C27 C28 C29 O30 0.8(3) ?
C27 C26 O30 C29 -0.1(2) ?
C4 C26 O30 C29 176.75(19) ?
C28 C29 O30 C26 -0.5(3) ?
