#------------------------------------------------------------------------------
#$Date: 2016-02-20 05:06:23 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176774 $
#$URL: svn://www.crystallography.net/cod/cif/2/20/35/2203509.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_2203509
loop_
_publ_author_name
'P. R. Seshadri'
'S. Selvanayagam'
'D. Velmurugan'
'K. Ravikumar'
'A. R. Sureshbabu'
'K. Parthasarathy'
'R. Raghunathan'
_publ_section_title
1'-Methyl-4'-(3,4,5-trimethoxyphenyl)dispiro[indene-2,3'-pyrrolidine-2',3''-indole]-1,2'',3(1''H)-trione
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o553
_journal_page_last               o555
_journal_paper_doi               10.1107/S1600536804004957
_journal_volume                  60
_journal_year                    2004
_chemical_formula_iupac          'C29 H26 N2 O6'
_chemical_formula_moiety         'C29 H26 N2 O6'
_chemical_formula_sum            'C29 H26 N2 O6'
_chemical_formula_weight         498.52
_chemical_name_systematic
;
41'-Methyl-4'-(3,4,5-trimethoxyphenyl)dispiro[indene-2,3'-pyrrolidine-
2',3''-indole]-1,2'',3(1''H)-trione
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 108.6330(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.3884(7)
_cell_length_b                   23.2621(14)
_cell_length_c                   11.1685(7)
_cell_measurement_reflns_used    3201
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      23.0
_cell_measurement_theta_min      2.4
_cell_volume                     2557.5(3)
_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, 2003)
;
_computing_publication_material  'SHELXL97 and PARST (Nardelli, 1995)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.936
_diffrn_measured_fraction_theta_max 0.936
_diffrn_measurement_device       'Bruker SMART APEX 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  0.0346
_diffrn_reflns_av_sigmaI/netI    0.0466
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            15973
_diffrn_reflns_theta_full        27.99
_diffrn_reflns_theta_max         27.99
_diffrn_reflns_theta_min         1.75
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.091
_exptl_absorpt_correction_T_max  0.9829
_exptl_absorpt_correction_T_min  0.9820
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2001)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.295
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             1048
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.19
_refine_diff_density_max         0.335
_refine_diff_density_min         -0.198
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.998
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     334
_refine_ls_number_reflns         5915
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.998
_refine_ls_R_factor_all          0.0943
_refine_ls_R_factor_gt           0.0587
_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)+(0.1P)²] where P = (Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1483
_refine_ls_wR_factor_ref         0.1698
_reflns_number_gt                3919
_reflns_number_total             5915
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            wn6212.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2203509
_cod_database_fobs_code          2203509
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x+1/2, -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_type_symbol
N1 0.27323(16) 0.24465(7) 0.64746(15) 0.0410(4) Uani d . 1 N
H1 0.3411 0.2319 0.7082 0.049 Uiso calc R 1 H
C2 0.26530(19) 0.24283(8) 0.52460(17) 0.0346(4) Uani d . 1 C
O3 0.34184(14) 0.21743(6) 0.48055(13) 0.0469(4) Uani d . 1 O
C4 0.13461(17) 0.27605(8) 0.44713(17) 0.0307(4) Uani d . 1 C
C5 0.06873(19) 0.28680(8) 0.54813(18) 0.0337(4) Uani d . 1 C
C6 -0.0571(2) 0.30832(8) 0.5414(2) 0.0438(5) Uani d . 1 C
H6 -0.1188 0.3192 0.4642 0.053 Uiso calc R 1 H
C7 -0.0898(2) 0.31343(9) 0.6524(2) 0.0522(6) Uani d . 1 C
H7 -0.1745 0.3277 0.6491 0.063 Uiso calc R 1 H
C8 0.0012(3) 0.29775(10) 0.7667(2) 0.0558(6) Uani d . 1 C
H8 -0.0225 0.3020 0.8398 0.067 Uiso calc R 1 H
C9 0.1269(2) 0.27587(10) 0.7750(2) 0.0504(6) Uani d . 1 C
H9 0.1888 0.2656 0.8525 0.060 Uiso calc R 1 H
C10 0.1581(2) 0.26960(8) 0.66414(18) 0.0377(4) Uani d . 1 C
C11 0.17435(18) 0.33083(8) 0.38703(17) 0.0323(4) Uani d . 1 C
C12 0.21546(18) 0.30387(8) 0.27629(17) 0.0342(4) Uani d . 1 C
H12 0.3065 0.2876 0.3138 0.041 Uiso calc R 1 H
C13 0.1172(2) 0.25281(8) 0.23542(18) 0.0372(4) Uani d . 1 C
H13A 0.0487 0.2607 0.1549 0.045 Uiso calc R 1 H
H13B 0.1661 0.2183 0.2271 0.045 Uiso calc R 1 H
N14 0.05371(15) 0.24537(6) 0.33518(14) 0.0322(4) Uani d . 1 N
C15 0.0218(2) 0.18586(9) 0.3564(2) 0.0457(5) Uani d . 1 C
H15A -0.0311 0.1689 0.2776 0.069 Uiso calc R 1 H
H15B -0.0290 0.1849 0.4146 0.069 Uiso calc R 1 H
H15C 0.1046 0.1646 0.3908 0.069 Uiso calc R 1 H
C16 0.22447(19) 0.34583(8) 0.17526(17) 0.0355(4) Uani d . 1 C
C17 0.3523(2) 0.36244(9) 0.1742(2) 0.0431(5) Uani d . 1 C
H17 0.4294 0.3469 0.2327 0.052 Uiso calc R 1 H
C18 0.3654(2) 0.40219(9) 0.0859(2) 0.0468(5) Uani d . 1 C
C19 0.2506(2) 0.42559(8) -0.0010(2) 0.0445(5) Uani d . 1 C
C20 0.1228(2) 0.40955(9) 0.00143(18) 0.0400(5) Uani d . 1 C
C21 0.1098(2) 0.36930(9) 0.08835(18) 0.0383(5) Uani d . 1 C
H21 0.0239 0.3580 0.0883 0.046 Uiso calc R 1 H
C22 0.0561(2) 0.37356(8) 0.33986(18) 0.0363(4) Uani d . 1 C
O23 -0.06103(14) 0.36244(6) 0.28168(14) 0.0473(4) Uani d . 1 O
C24 0.1101(3) 0.43149(9) 0.3765(2) 0.0481(5) Uani d . 1 C
C25 0.0441(3) 0.48397(10) 0.3421(3) 0.0719(8) Uani d . 1 C
H25 -0.0455 0.4857 0.2894 0.086 Uiso calc R 1 H
C26 0.1157(5) 0.53260(12) 0.3884(3) 0.0990(12) Uani d . 1 C
H26 0.0743 0.5682 0.3661 0.119 Uiso calc R 1 H
C27 0.2482(5) 0.53022(13) 0.4676(3) 0.1042(13) Uani d . 1 C
H27 0.2933 0.5643 0.4989 0.125 Uiso calc R 1 H
C28 0.3160(4) 0.47835(12) 0.5019(3) 0.0778(9) Uani d . 1 C
H28 0.4057 0.4770 0.5544 0.093 Uiso calc R 1 H
C29 0.2440(3) 0.42852(9) 0.4544(2) 0.0509(6) Uani d . 1 C
C30 0.2893(2) 0.36801(9) 0.47120(19) 0.0432(5) Uani d . 1 C
O31 0.39896(17) 0.35094(8) 0.53611(16) 0.0663(5) Uani d . 1 O
O32 0.48996(18) 0.42167(8) 0.07800(19) 0.0687(5) Uani d . 1 O
C33 0.6057(3) 0.40054(13) 0.1605(3) 0.0715(8) Uani d . 1 C
H33A 0.6826 0.4177 0.1444 0.107 Uiso calc R 1 H
H33B 0.6083 0.3596 0.1505 0.107 Uiso calc R 1 H
H33C 0.6083 0.4093 0.2453 0.107 Uiso calc R 1 H
O34 0.26109(18) 0.46638(6) -0.08768(16) 0.0611(5) Uani d . 1 O
C35 0.2986(4) 0.44398(14) -0.1886(3) 0.1043(13) Uani d . 1 C
H35A 0.3045 0.4747 -0.2441 0.156 Uiso calc R 1 H
H35B 0.2316 0.4167 -0.2344 0.156 Uiso calc R 1 H
H35C 0.3852 0.4253 -0.1563 0.156 Uiso calc R 1 H
O36 0.01580(16) 0.43510(7) -0.08718(15) 0.0557(4) Uani d . 1 O
C37 -0.1133(2) 0.43092(11) -0.0708(3) 0.0621(7) Uani d . 1 C
H37A -0.1793 0.4506 -0.1386 0.093 Uiso calc R 1 H
H37B -0.1100 0.4481 0.0083 0.093 Uiso calc R 1 H
H37C -0.1384 0.3912 -0.0710 0.093 Uiso calc R 1 H
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
C2 N1 C10 111.9(2) ?
C2 N1 H1 124.1 ?
C10 N1 H1 124.1 ?
O3 C2 N1 126.4(2) ?
O3 C2 C4 125.6(2) ?
N1 C2 C4 107.93(15) ?
N14 C4 C5 116.57(14) ?
N14 C4 C11 101.00(10) yes
C5 C4 C11 115.54(14) ?
N14 C4 C2 113.3(2) ?
C5 C4 C2 100.88(14) ?
C11 C4 C2 109.92(14) ?
C6 C5 C10 119.65(18) ?
C6 C5 C4 131.67(18) ?
C10 C5 C4 108.67(16) ?
C5 C6 C7 118.7(2) ?
C5 C6 H6 120.7 ?
C7 C6 H6 120.7 ?
C8 C7 C6 120.9(2) ?
C8 C7 H7 119.5 ?
C6 C7 H7 119.5 ?
C9 C8 C7 121.1(2) ?
C9 C8 H8 119.4 ?
C7 C8 H8 119.4 ?
C8 C9 C10 117.9(2) ?
C8 C9 H9 121.1 ?
C10 C9 H9 121.1 ?
C5 C10 N1 110.0(2) ?
C5 C10 C9 121.7(2) ?
N1 C10 C9 128.3(2) ?
C30 C11 C22 103.10(16) ?
C30 C11 C4 117.42(15) ?
C22 C11 C4 112.61(14) ?
C30 C11 C12 110.85(15) ?
C22 C11 C12 112.26(14) ?
C4 C11 C12 101.00(10) yes
C16 C12 C13 117.98(15) ?
C16 C12 C11 115.32(15) ?
C13 C12 C11 102.80(10) yes
C16 C12 H12 106.7 ?
C13 C12 H12 106.7 ?
C11 C12 H12 106.7 ?
N14 C13 C12 106.30(10) yes
N14 C13 H13A 110.5 ?
C12 C13 H13A 110.5 ?
N14 C13 H13B 110.5 ?
C12 C13 H13B 110.5 ?
H13A C13 H13B 108.7 ?
C4 N14 C15 115.2(2) ?
C4 N14 C13 108.50(10) yes
C15 N14 C13 114.39(15) ?
N14 C15 H15A 109.5 ?
N14 C15 H15B 109.5 ?
H15A C15 H15B 109.5 ?
N14 C15 H15C 109.5 ?
H15A C15 H15C 109.5 ?
H15B C15 H15C 109.5 ?
C17 C16 C21 119.70(17) ?
C17 C16 C12 118.20(17) ?
C21 C16 C12 122.06(16) ?
C16 C17 C18 120.22(19) ?
C16 C17 H17 119.9 ?
C18 C17 H17 119.9 ?
C17 C18 C19 120.00(18) ?
C17 C18 O32 124.2(2) ?
C19 C18 O32 115.8(2) ?
C20 C19 O34 119.2(2) ?
C20 C19 C18 119.69(18) ?
O34 C19 C18 121.1(2) ?
O36 C20 C19 115.5(2) ?
O36 C20 C21 124.2(2) ?
C19 C20 C21 120.25(19) ?
C20 C21 C16 120.13(18) ?
C20 C21 H21 119.9 ?
C16 C21 H21 119.9 ?
O23 C22 C24 125.1(2) ?
O23 C22 C11 127.0(2) ?
C24 C22 C11 107.83(17) ?
C29 C24 C25 121.6(2) ?
C29 C24 C22 110.29(19) ?
C25 C24 C22 128.1(2) ?
C26 C25 C24 117.5(3) ?
C26 C25 H25 121.2 ?
C24 C25 H25 121.2 ?
C27 C26 C25 121.5(3) ?
C27 C26 H26 119.3 ?
C25 C26 H26 119.3 ?
C26 C27 C28 121.8(3) ?
C26 C27 H27 119.1 ?
C28 C27 H27 119.1 ?
C29 C28 C27 117.1(3) ?
C29 C28 H28 121.4 ?
C27 C28 H28 121.4 ?
C28 C29 C24 120.5(2) ?
C28 C29 C30 129.5(3) ?
C24 C29 C30 110.02(18) ?
O31 C30 C29 126.3(2) ?
O31 C30 C11 125.8(2) ?
C29 C30 C11 107.82(18) ?
C33 O32 C18 118.5(2) ?
O32 C33 H33A 109.5 ?
O32 C33 H33B 109.5 ?
H33A C33 H33B 109.5 ?
O32 C33 H33C 109.5 ?
H33A C33 H33C 109.5 ?
H33B C33 H33C 109.5 ?
C19 O34 C35 114.3(2) ?
O34 C35 H35A 109.5 ?
O34 C35 H35B 109.5 ?
H35A C35 H35B 109.5 ?
O34 C35 H35C 109.5 ?
H35A C35 H35C 109.5 ?
H35B C35 H35C 109.5 ?
C20 O36 C37 117.6(2) ?
O36 C37 H37A 109.5 ?
O36 C37 H37B 109.5 ?
H37A C37 H37B 109.5 ?
O36 C37 H37C 109.5 ?
H37A C37 H37C 109.5 ?
H37B C37 H37C 109.5 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
N1 C2 1.349(2) ?
N1 C10 1.394(2) ?
N1 H1 0.8600 ?
C2 O3 1.214(2) ?
C2 C4 1.562(3) ?
C4 N14 1.452(2) yes
C4 C5 1.515(2) ?
C4 C11 1.556(2) yes
C5 C6 1.379(3) ?
C5 C10 1.390(3) ?
C6 C7 1.391(3) ?
C6 H6 0.9300 ?
C7 C8 1.373(4) ?
C7 H7 0.9300 ?
C8 C9 1.377(3) ?
C8 H8 0.9300 ?
C9 C10 1.384(3) ?
C9 H9 0.9300 ?
C11 C30 1.530(3) ?
C11 C22 1.537(3) ?
C11 C12 1.563(2) yes
C12 C16 1.517(2) ?
C12 C13 1.537(3) yes
C12 H12 0.9800 ?
C13 N14 1.475(2) yes
C13 H13A 0.9700 ?
C13 H13B 0.9700 ?
N14 C15 1.460(2) ?
C15 H15A 0.9600 ?
C15 H15B 0.9600 ?
C15 H15C 0.9600 ?
C16 C17 1.386(3) ?
C16 C21 1.386(3) ?
C17 C18 1.390(3) ?
C17 H17 0.9300 ?
C18 C19 1.387(3) ?
C18 O32 1.400(2) ?
C19 C20 1.387(3) ?
C19 O34 1.385(2) ?
C20 O36 1.366(2) ?
C20 C21 1.386(3) ?
C21 H21 0.9300 ?
C22 O23 1.210(2) ?
C22 C24 1.467(3) ?
C24 C29 1.387(3) ?
C24 C25 1.393(3) ?
C25 C26 1.362(4) ?
C25 H25 0.9300 ?
C26 C27 1.379(5) ?
C26 H26 0.9300 ?
C27 C28 1.388(5) ?
C27 H27 0.9300 ?
C28 C29 1.389(3) ?
C28 H28 0.9300 ?
C29 C30 1.477(3) ?
C30 O31 1.205(3) ?
O32 C33 1.352(3) ?
C33 H33A 0.9600 ?
C33 H33B 0.9600 ?
C33 H33C 0.9600 ?
O34 C35 1.405(3) ?
C35 H35A 0.9600 ?
C35 H35B 0.9600 ?
C35 H35C 0.9600 ?
O36 C37 1.414(3) ?
C37 H37A 0.9600 ?
C37 H37B 0.9600 ?
C37 H37C 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
_geom_hbond_publ_flag
C6 H6 O23 . 0.93 2.51 3.150(3) 126 yes
C12 H12 O3 . 0.98 2.41 3.010(2) 119 yes
C21 H21 O23 . 0.93 2.58 3.207(3) 125 yes
C35 H35C O32 . 0.96 2.49 3.050(4) 117 yes
N1 H1 O23 4_555 0.86 2.45 3.125(2) 136 yes
N1 H1 N14 4_555 0.86 2.27 3.006(2) 143 yes
C8 H8 O3 4_455 0.93 2.47 3.331(3) 155 yes
C13 H13A O3 4_454 0.97 2.45 3.400(2) 167 yes
C21 H21 O3 4_454 0.93 2.58 3.336(3) 139 yes
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
C10 N1 C2 O3 -170.32(19)
C10 N1 C2 C4 6.2(2)
O3 C2 C4 N14 43.1(3)
N1 C2 C4 N14 -133.39(16)
O3 C2 C4 C5 168.50(19)
N1 C2 C4 C5 -8.03(19)
O3 C2 C4 C11 -69.1(2)
N1 C2 C4 C11 114.42(17)
N14 C4 C5 C6 -48.4(3)
C11 C4 C5 C6 70.1(3)
C2 C4 C5 C6 -171.50(19)
N14 C4 C5 C10 130.35(17)
C11 C4 C5 C10 -111.22(17)
C2 C4 C5 C10 7.23(19)
C10 C5 C6 C7 1.5(3)
C4 C5 C6 C7 -179.92(18)
C5 C6 C7 C8 0.4(3)
C6 C7 C8 C9 -0.8(3)
C7 C8 C9 C10 -0.7(3)
C6 C5 C10 N1 174.68(17)
C4 C5 C10 N1 -4.2(2)
C6 C5 C10 C9 -3.0(3)
C4 C5 C10 C9 178.10(17)
C2 N1 C10 C5 -1.4(2)
C2 N1 C10 C9 176.1(2)
C8 C9 C10 C5 2.6(3)
C8 C9 C10 N1 -174.6(2)
N14 C4 C11 C30 -165.21(16)
C5 C4 C11 C30 68.0(2)
C2 C4 C11 C30 -45.3(2)
N14 C4 C11 C22 75.28(17)
C5 C4 C11 C22 -51.5(2)
C2 C4 C11 C22 -164.77(15)
N14 C4 C11 C12 -44.63(15)
C5 C4 C11 C12 -171.37(15)
C2 C4 C11 C12 75.32(16)
C30 C11 C12 C16 -70.6(2)
C22 C11 C12 C16 44.1(2)
C4 C11 C12 C16 164.26(15)
C30 C11 C12 C13 159.62(16)
C22 C11 C12 C13 -85.68(17)
C4 C11 C12 C13 34.48(17)
C16 C12 C13 N14 -140.49(16)
C11 C12 C13 N14 -12.37(18)
C5 C4 N14 C15 -65.6(2)
C11 C4 N14 C15 168.33(15)
C2 C4 N14 C15 50.8(2)
C5 C4 N14 C13 164.72(15)
C11 C4 N14 C13 38.66(17)
C2 C4 N14 C13 -78.85(17)
C12 C13 N14 C4 -16.75(19)
C12 C13 N14 C15 -146.84(16)
C13 C12 C16 C17 -133.71(19)
C11 C12 C16 C17 104.4(2)
C13 C12 C16 C21 48.8(3)
C11 C12 C16 C21 -73.2(2)
C21 C16 C17 C18 -0.4(3)
C12 C16 C17 C18 -178.0(2)
C16 C17 C18 C19 0.3(3)
C16 C17 C18 O32 179.7(2)
C17 C18 C19 C20 0.6(3)
O32 C18 C19 C20 -178.82(19)
C17 C18 C19 O34 178.29(19)
O32 C18 C19 O34 -1.1(3)
O34 C19 C20 O36 1.9(3)
C18 C19 C20 O36 179.60(19)
O34 C19 C20 C21 -179.24(18)
C18 C19 C20 C21 -1.5(3)
O36 C20 C21 C16 -179.72(19)
C19 C20 C21 C16 1.5(3)
C17 C16 C21 C20 -0.5(3)
C12 C16 C21 C20 177.0(2)
C30 C11 C22 O23 -170.99(19)
C4 C11 C22 O23 -43.5(3)
C12 C11 C22 O23 69.7(2)
C30 C11 C22 C24 9.67(19)
C4 C11 C22 C24 137.20(16)
C12 C11 C22 C24 -109.67(17)
O23 C22 C24 C29 173.13(19)
C11 C22 C24 C29 -7.5(2)
O23 C22 C24 C25 -7.2(4)
C11 C22 C24 C25 172.2(2)
C29 C24 C25 C26 -0.4(4)
C22 C24 C25 C26 179.9(2)
C24 C25 C26 C27 -0.7(5)
C25 C26 C27 C28 1.4(6)
C26 C27 C28 C29 -0.9(5)
C27 C28 C29 C24 -0.2(4)
C27 C28 C29 C30 178.2(2)
C25 C24 C29 C28 0.9(4)
C22 C24 C29 C28 -179.4(2)
C25 C24 C29 C30 -177.8(2)
C22 C24 C29 C30 1.9(2)
C28 C29 C30 O31 3.6(4)
C24 C29 C30 O31 -177.8(2)
C28 C29 C30 C11 -174.0(2)
C24 C29 C30 C11 4.6(2)
C22 C11 C30 O31 173.8(2)
C4 C11 C30 O31 49.3(3)
C12 C11 C30 O31 -65.9(2)
C22 C11 C30 C29 -8.60(19)
C4 C11 C30 C29 -133.03(17)
C12 C11 C30 C29 111.72(18)
C17 C18 O32 C33 0.4(3)
C19 C18 O32 C33 179.8(2)
C20 C19 O34 C35 -106.6(3)
C18 C19 O34 C35 75.7(3)
C19 C20 O36 C37 -165.57(19)
C21 C20 O36 C37 15.6(3)
