#------------------------------------------------------------------------------
#$Date: 2016-02-20 05:06:23 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176774 $
#$URL: svn://www.crystallography.net/cod/cif/2/20/30/2203041.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_2203041
loop_
_publ_author_name
'P. R. Seshadri'
'S. Selvanayagam'
'D. Velmurugan'
'K. Ravikumar'
'A. R. Sureshbabu'
'R. Raghunathan'
_publ_section_title
4'-(3-Chlorophenyl)-1-methyl-1H-indole-3-spiro-2'-pyrrolidine-3'-spiro-2''-indan-2,1'',3''-trione
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o51
_journal_page_last               o53
_journal_paper_doi               10.1107/S1600536803027302
_journal_volume                  60
_journal_year                    2004
_chemical_formula_iupac          'C26 H19 Cl N2 O3'
_chemical_formula_moiety         'C26 H19 Cl N2 O3'
_chemical_formula_sum            'C26 H19 Cl N2 O3'
_chemical_formula_weight         442.88
_chemical_name_systematic
;
1-N-methyl-Spiro-[2 -3'] oxindole-spiro-[3-2"] indan-1",3"dione 4-[2"'-
chlorophenyl] pyrrolidine
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                85.6570(10)
_cell_angle_beta                 89.7520(10)
_cell_angle_gamma                83.726(2)
_cell_formula_units_Z            2
_cell_length_a                   7.8394(6)
_cell_length_b                   11.6760(9)
_cell_length_c                   11.8628(10)
_cell_measurement_reflns_used    2195
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      26.94
_cell_measurement_theta_min      2.37
_cell_volume                     1076.22(15)
_computing_cell_refinement       'SAINT (Bruker, 2001)'
_computing_data_collection       'SMART (Bruker, 2001) '
_computing_data_reduction        SAINT
_computing_molecular_graphics
;
'ORTEP-3 (Farrugia, 1997) and PLATON (Spek, 1990)'
;
_computing_publication_material  'SHELXL97 and PARST (Nardelli, 1995)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS90 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.912
_diffrn_measured_fraction_theta_max 0.912
_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  0.0147
_diffrn_reflns_av_sigmaI/netI    0.0347
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            6811
_diffrn_reflns_theta_full        27.98
_diffrn_reflns_theta_max         27.98
_diffrn_reflns_theta_min         1.72
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.209
_exptl_absorpt_correction_T_max  0.970
_exptl_absorpt_correction_T_min  0.954
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2001)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.367
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Needles
_exptl_crystal_F_000             460
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.16
_refine_diff_density_max         0.463
_refine_diff_density_min         -0.423
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.088
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     289
_refine_ls_number_reflns         4731
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.088
_refine_ls_R_factor_all          0.0751
_refine_ls_R_factor_gt           0.0556
_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          0.1566
_refine_ls_wR_factor_ref         0.1715
_reflns_number_gt                3499
_reflns_number_total             4731
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            bt6385.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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 'Triclinic' changed to 'triclinic'
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 
;
_cod_database_code               2203041
_cod_database_fobs_code          2203041
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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
Cl1 1.12014(10) 0.23162(6) 0.79817(8) 0.0904(3) Uani d . 1 Cl
N1 0.5643(2) 0.97302(16) 0.64645(16) 0.0529(5) Uani d . 1 N
H1 0.4832 1.0173 0.6117 0.063 Uiso calc R 1 H
C2 0.6575(3) 0.8836(2) 0.60032(19) 0.0478(5) Uani d . 1 C
O3 0.6543(2) 0.86163(15) 0.50139(13) 0.0639(5) Uani d . 1 O
C4 0.7706(2) 0.81532(17) 0.69708(17) 0.0394(5) Uani d . 1 C
C5 0.7443(2) 0.89634(17) 0.79082(17) 0.0395(5) Uani d . 1 C
C6 0.8250(3) 0.89675(18) 0.89303(19) 0.0458(5) Uani d . 1 C
H6 0.9137 0.8399 0.9148 0.055 Uiso calc R 1 H
C7 0.7724(3) 0.9831(2) 0.9633(2) 0.0521(6) Uani d . 1 C
H7 0.8261 0.9841 1.0330 0.063 Uiso calc R 1 H
C8 0.6413(3) 1.0676(2) 0.9312(2) 0.0558(6) Uani d . 1 C
H8 0.6057 1.1238 0.9804 0.067 Uiso calc R 1 H
C9 0.5625(3) 1.07019(19) 0.8278(2) 0.0531(6) Uani d . 1 C
H9 0.4755 1.1281 0.8057 0.064 Uiso calc R 1 H
C10 0.6160(3) 0.98456(18) 0.75767(18) 0.0432(5) Uani d . 1 C
C11 0.7084(2) 0.69304(17) 0.72368(15) 0.0353(4) Uani d . 1 C
C12 0.7996(2) 0.62445(18) 0.62895(16) 0.0411(5) Uani d . 1 C
H12 0.7295 0.6443 0.5606 0.049 Uiso calc R 1 H
C13 0.9667(3) 0.6801(2) 0.6082(2) 0.0525(6) Uani d . 1 C
H13A 1.0644 0.6278 0.6365 0.063 Uiso calc R 1 H
H13B 0.9824 0.6988 0.5280 0.063 Uiso calc R 1 H
N14 0.9494(2) 0.78474(15) 0.66898(15) 0.0443(4) Uani d . 1 N
C15 1.0402(3) 0.8780(2) 0.6198(3) 0.0702(8) Uani d . 1 C
H15A 1.1569 0.8489 0.6050 0.105 Uiso calc R 1 H
H15B 1.0386 0.9375 0.6715 0.105 Uiso calc R 1 H
H15C 0.9854 0.9092 0.5503 0.105 Uiso calc R 1 H
C16 0.8133(2) 0.49386(18) 0.64942(15) 0.0391(5) Uani d . 1 C
C17 0.9480(3) 0.42956(18) 0.70856(18) 0.0442(5) Uani d . 1 C
H17 1.0352 0.4663 0.7384 0.053 Uiso calc R 1 H
C18 0.9522(3) 0.31120(19) 0.72299(19) 0.0478(5) Uani d . 1 C
C19 0.8263(3) 0.2534(2) 0.68047(19) 0.0526(6) Uani d . 1 C
H19 0.8320 0.1733 0.6907 0.063 Uiso calc R 1 H
C20 0.6922(3) 0.3162(2) 0.6226(2) 0.0593(6) Uani d . 1 C
H20 0.6052 0.2788 0.5934 0.071 Uiso calc R 1 H
C21 0.6864(3) 0.4346(2) 0.60769(19) 0.0540(6) Uani d . 1 C
H21 0.5945 0.4761 0.5684 0.065 Uiso calc R 1 H
C22 0.7557(2) 0.64951(15) 0.84612(15) 0.0326(4) Uani d . 1 C
O23 0.89755(16) 0.61738(13) 0.88181(12) 0.0429(4) Uani d . 1 O
C24 0.5945(2) 0.65307(16) 0.91230(15) 0.0326(4) Uani d . 1 C
C25 0.5729(3) 0.63121(16) 1.02736(16) 0.0390(4) Uani d . 1 C
H25 0.6667 0.6165 1.0761 0.047 Uiso calc R 1 H
C26 0.4063(3) 0.63201(18) 1.06737(17) 0.0450(5) Uani d . 1 C
H26 0.3882 0.6184 1.1445 0.054 Uiso calc R 1 H
C27 0.2665(3) 0.6527(2) 0.99511(19) 0.0483(5) Uani d . 1 C
H27 0.1565 0.6510 1.0245 0.058 Uiso calc R 1 H
C28 0.2870(3) 0.67559(19) 0.88060(18) 0.0442(5) Uani d . 1 C
H28 0.1930 0.6904 0.8321 0.053 Uiso calc R 1 H
C29 0.4543(2) 0.67565(17) 0.84029(16) 0.0356(4) Uani d . 1 C
C30 0.5122(2) 0.69247(18) 0.72226(17) 0.0403(5) Uani d . 1 C
O31 0.42343(19) 0.70120(18) 0.63869(13) 0.0634(5) 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'
Cl Cl 0.1484 0.1585 '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) yes
C2 N1 H1 124.1 ?
C10 N1 H1 124.1 ?
O3 C2 N1 126.0(2) yes
O3 C2 C4 126.7(2) yes
N1 C2 C4 107.3(2) yes
N14 C4 C5 113.9(2) yes
N14 C4 C2 115.6(2) yes
C5 C4 C2 101.38(16) ?
N14 C4 C11 101.4(2) yes
C5 C4 C11 115.41(15) ?
C2 C4 C11 109.70(16) ?
C10 C5 C6 119.8(2) ?
C10 C5 C4 108.56(18) ?
C6 C5 C4 131.62(18) ?
C5 C6 C7 118.9(2) yes
C5 C6 H6 120.5 ?
C7 C6 H6 120.5 ?
C8 C7 C6 120.7(2) yes
C8 C7 H7 119.7 ?
C6 C7 H7 119.7 ?
C7 C8 C9 121.1(2) ?
C7 C8 H8 119.5 ?
C9 C8 H8 119.5 ?
C10 C9 C8 118.1(2) yes
C10 C9 H9 120.9 ?
C8 C9 H9 120.9 ?
C5 C10 C9 121.3(2) yes
C5 C10 N1 109.9(2) yes
C9 C10 N1 128.7(2) yes
C22 C11 C30 102.62(14) ?
C22 C11 C12 116.74(15) ?
C30 C11 C12 112.91(16) ?
C22 C11 C4 109.43(15) ?
C30 C11 C4 114.32(16) ?
C12 C11 C4 101.29(15) ?
C16 C12 C11 115.39(16) ?
C16 C12 C13 117.53(17) ?
C11 C12 C13 104.09(17) ?
C16 C12 H12 106.3 ?
C11 C12 H12 106.3 ?
C13 C12 H12 106.3 ?
N14 C13 C12 106.1(2) 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 116.1(2) yes
C4 N14 C13 109.9(2) yes
C15 N14 C13 115.2(2) yes
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 117.6(2) ?
C17 C16 C12 123.14(18) ?
C21 C16 C12 119.27(19) ?
C18 C17 C16 119.8(2) ?
C18 C17 H17 120.1 ?
C16 C17 H17 120.1 ?
C17 C18 C19 122.1(2) ?
C17 C18 Cl1 119.5(2) yes
C19 C18 Cl1 118.5(2) yes
C20 C19 C18 118.6(2) ?
C20 C19 H19 120.7 ?
C18 C19 H19 120.7 ?
C19 C20 C21 119.9(2) ?
C19 C20 H20 120.1 ?
C21 C20 H20 120.1 ?
C20 C21 C16 122.1(2) ?
C20 C21 H21 119.0 ?
C16 C21 H21 119.0 ?
O23 C22 C24 126.1(2) yes
O23 C22 C11 126.3(2) yes
C24 C22 C11 107.64(15) ?
C29 C24 C25 120.91(17) ?
C29 C24 C22 109.99(16) ?
C25 C24 C22 128.98(17) ?
C26 C25 C24 117.53(19) ?
C26 C25 H25 121.2 ?
C24 C25 H25 121.2 ?
C25 C26 C27 121.50(19) ?
C25 C26 H26 119.3 ?
C27 C26 H26 119.3 ?
C28 C27 C26 121.27(19) ?
C28 C27 H27 119.4 ?
C26 C27 H27 119.4 ?
C29 C28 C27 117.32(19) ?
C29 C28 H28 121.3 ?
C27 C28 H28 121.3 ?
C24 C29 C28 121.46(18) ?
C24 C29 C30 110.09(16) ?
C28 C29 C30 128.39(18) ?
O31 C30 C29 126.52(18) ?
O31 C30 C11 125.5(2) yes
C29 C30 C11 108.0(2) yes
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
Cl1 C18 1.735(2) yes
N1 C2 1.356(3) yes
N1 C10 1.402(3) yes
N1 H1 0.8600 ?
C2 O3 1.221(3) yes
C2 C4 1.567(3) ?
C4 N14 1.452(2) yes
C4 C5 1.513(3) ?
C4 C11 1.568(3) ?
C5 C10 1.394(3) ?
C5 C6 1.371(3) ?
C6 C7 1.384(3) ?
C6 H6 0.9300 ?
C7 C8 1.379(3) ?
C7 H7 0.9300 ?
C8 C9 1.372(3) ?
C8 H8 0.9300 ?
C9 C10 1.378(3) ?
C9 H9 0.9300 ?
C11 C22 1.535(3) ?
C11 C30 1.539(3) ?
C11 C12 1.555(3) ?
C12 C16 1.518(3) ?
C12 C13 1.535(3) ?
C12 H12 0.9800 ?
C13 N14 1.459(3) ?
C13 H13A 0.9700 ?
C13 H13B 0.9700 ?
N14 C15 1.450(3) yes
C15 H15A 0.9600 ?
C15 H15B 0.9600 ?
C15 H15C 0.9600 ?
C16 C17 1.387(3) ?
C16 C21 1.386(3) ?
C17 C18 1.376(3) ?
C17 H17 0.9300 ?
C18 C19 1.373(3) ?
C19 C20 1.369(3) ?
C19 H19 0.9300 ?
C20 C21 1.376(4) ?
C20 H20 0.9300 ?
C21 H21 0.9300 ?
C22 O23 1.202(2) yes
C22 C24 1.483(2) ?
C24 C29 1.385(3) ?
C24 C25 1.383(3) ?
C25 C26 1.387(3) ?
C25 H25 0.9300 ?
C26 C27 1.384(3) ?
C26 H26 0.9300 ?
C27 C28 1.377(3) ?
C27 H27 0.9300 ?
C28 C29 1.394(3) ?
C28 H28 0.9300 ?
C29 C30 1.476(3) ?
C30 O31 1.205(2) yes
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
C12 H12 O3 . 0.98 2.59 3.154(3) 117 yes
N1 H1 O3 2_676 0.86 2.09 2.920(2) 163 yes
C15 H15A O31 1_655 0.96 2.57 3.452(3) 152 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
_geom_torsion_publ_flag
C10 N1 C2 O3 -171.0(2) ?
C10 N1 C2 C4 8.4(2) ?
O3 C2 C4 N14 45.5(3) ?
N1 C2 C4 N14 -133.86(19) ?
O3 C2 C4 C5 169.3(2) ?
N1 C2 C4 C5 -10.1(2) ?
O3 C2 C4 C11 -68.3(3) ?
N1 C2 C4 C11 112.34(19) ?
N14 C4 C5 C10 133.39(17) ?
C2 C4 C5 C10 8.5(2) ?
C11 C4 C5 C10 -109.91(18) ?
N14 C4 C5 C6 -44.7(3) ?
C2 C4 C5 C6 -169.5(2) ?
C11 C4 C5 C6 72.0(3) ?
C10 C5 C6 C7 2.4(3) ?
C4 C5 C6 C7 -179.7(2) ?
C5 C6 C7 C8 -0.2(3) ?
C6 C7 C8 C9 -1.7(3) ?
C7 C8 C9 C10 1.2(3) ?
C6 C5 C10 C9 -2.9(3) ?
C4 C5 C10 C9 178.75(19) ?
C6 C5 C10 N1 174.06(18) ?
C4 C5 C10 N1 -4.3(2) ?
C8 C9 C10 C5 1.1(3) ?
C8 C9 C10 N1 -175.2(2) ?
C2 N1 C10 C5 -2.8(2) ?
C2 N1 C10 C9 173.8(2) ?
N14 C4 C11 C22 82.96(17) ?
C5 C4 C11 C22 -40.7(2) ?
C2 C4 C11 C22 -154.36(15) ?
N14 C4 C11 C30 -162.61(16) ?
C5 C4 C11 C30 73.8(2) ?
C2 C4 C11 C30 -39.9(2) ?
N14 C4 C11 C12 -40.89(18) ?
C5 C4 C11 C12 -164.49(16) ?
C2 C4 C11 C12 81.79(17) ?
C22 C11 C12 C16 43.1(2) ?
C30 C11 C12 C16 -75.5(2) ?
C4 C11 C12 C16 161.78(16) ?
C22 C11 C12 C13 -87.2(2) ?
C30 C11 C12 C13 154.19(17) ?
C4 C11 C12 C13 31.48(19) ?
C16 C12 C13 N14 -139.89(18) ?
C11 C12 C13 N14 -10.9(2) ?
C5 C4 N14 C15 -66.1(3) ?
C2 C4 N14 C15 50.7(3) ?
C11 C4 N14 C15 169.3(2) ?
C5 C4 N14 C13 160.95(17) ?
C2 C4 N14 C13 -82.2(2) ?
C11 C4 N14 C13 36.3(2) ?
C12 C13 N14 C4 -16.5(2) ?
C12 C13 N14 C15 -149.87(19) ?
C11 C12 C16 C17 -87.5(2) ?
C13 C12 C16 C17 36.0(3) ?
C11 C12 C16 C21 92.5(2) ?
C13 C12 C16 C21 -144.1(2) ?
C21 C16 C17 C18 0.5(3) ?
C12 C16 C17 C18 -179.5(2) yes
C16 C17 C18 C19 0.0(3) ?
C16 C17 C18 Cl1 -179.42(15) ?
C17 C18 C19 C20 -0.4(3) ?
Cl1 C18 C19 C20 178.99(17) ?
C18 C19 C20 C21 0.4(3) ?
C19 C20 C21 C16 0.1(3) ?
C17 C16 C21 C20 -0.6(3) ?
C12 C16 C21 C20 179.46(19) ?
C30 C11 C22 O23 166.57(19) ?
C12 C11 C22 O23 42.6(3) ?
C4 C11 C22 O23 -71.7(2) ?
C30 C11 C22 C24 -12.85(19) ?
C12 C11 C22 C24 -136.87(17) ?
C4 C11 C22 C24 108.92(16) ?
O23 C22 C24 C29 -169.72(19) ?
C11 C22 C24 C29 9.7(2) ?
O23 C22 C24 C25 6.3(3) ?
C11 C22 C24 C25 -174.26(18) ?
C29 C24 C25 C26 0.4(3) ?
C22 C24 C25 C26 -175.23(18) ?
C24 C25 C26 C27 0.7(3) ?
C25 C26 C27 C28 -1.3(3) ?
C26 C27 C28 C29 0.8(3) ?
C25 C24 C29 C28 -0.9(3) ?
C22 C24 C29 C28 175.49(17) ?
C25 C24 C29 C30 -178.31(17) ?
C22 C24 C29 C30 -1.9(2) ?
C27 C28 C29 C24 0.3(3) ?
C27 C28 C29 C30 177.15(19) ?
C24 C29 C30 O31 171.5(2) ?
C28 C29 C30 O31 -5.6(4) ?
C24 C29 C30 C11 -6.6(2) ?
C28 C29 C30 C11 176.20(19) ?
C22 C11 C30 O31 -166.4(2) ?
C12 C11 C30 O31 -39.8(3) ?
C4 C11 C30 O31 75.3(3) ?
C22 C11 C30 C29 11.8(2) ?
C12 C11 C30 C29 138.34(17) ?
C4 C11 C30 C29 -106.56(18) ?
