#------------------------------------------------------------------------------
#$Date: 2017-10-14 22:27:35 +0300 (Sat, 14 Oct 2017) $
#$Revision: 202017 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/10/33/7103350.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_7103350
loop_
_publ_author_name
'Walz, Irene'
'Togni, Antonio'
_publ_section_title
;
 Ni(II)-catalyzed enantioselective Nazarov cyclizations.
;
_journal_issue                   36
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              4315
_journal_page_last               4317
_journal_paper_doi               10.1039/b806870d
_journal_year                    2008
_chemical_absolute_configuration rm
_chemical_formula_moiety         'C32 H40 O6'
_chemical_formula_sum            'C32 H40 O6'
_chemical_formula_weight         520.64
_chemical_name_systematic
;
?
;
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.0389(5)
_cell_length_b                   15.9508(7)
_cell_length_c                   18.4174(8)
_cell_measurement_temperature    200(2)
_cell_volume                     2949.2(2)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      200(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_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  0.0493
_diffrn_reflns_av_sigmaI/netI    0.0234
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            120948
_diffrn_reflns_theta_full        36.35
_diffrn_reflns_theta_max         36.35
_diffrn_reflns_theta_min         1.69
_exptl_absorpt_coefficient_mu    0.080
_exptl_absorpt_correction_T_max  0.9691
_exptl_absorpt_correction_T_min  0.9602
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'Sadabs vers. 2.03'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.173
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    .
_exptl_crystal_description       cube
_exptl_crystal_F_000             1120
_exptl_crystal_size_max          0.51
_exptl_crystal_size_mid          0.44
_exptl_crystal_size_min          0.40
_refine_diff_density_max         0.444
_refine_diff_density_min         -0.135
_refine_diff_density_rms         0.059
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.8(4)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_hydrogen_treatment    riding
_refine_ls_matrix_type           full
_refine_ls_number_parameters     504
_refine_ls_number_reflns         14329
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.037
_refine_ls_R_factor_all          0.0503
_refine_ls_R_factor_gt           0.0440
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0789P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1089
_refine_ls_wR_factor_ref         0.1140
_reflns_number_gt                12741
_reflns_number_total             14329
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b806870d.txt
_cod_data_source_block           IWA_139_2
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Orthorhombic' changed to 'orthorhombic'
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 
;
_cod_database_code               7103350
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
O1 O 0.44053(8) 0.53059(5) -0.12380(3) 0.03933(15) Uani 1 1 d . . .
O2 O 0.56785(7) 0.30683(4) -0.00300(3) 0.03261(13) Uani 1 1 d . . .
O3 O 0.45221(10) 0.13296(5) 0.20304(5) 0.0479(2) Uani 1 1 d . . .
O4 O 0.31081(7) 0.41637(4) 0.18492(3) 0.03152(12) Uani 1 1 d . . .
O5 O 0.13406(7) 0.46520(4) -0.01106(5) 0.03999(16) Uani 1 1 d . . .
O6 O 0.25640(6) 0.57783(3) 0.01940(4) 0.03070(12) Uani 1 1 d . . .
C1 C 0.37286(7) 0.45582(4) -0.01429(4) 0.02141(10) Uani 1 1 d . . .
H1A H 0.3530(15) 0.4020(9) -0.0358(8) 0.032(3) Uiso 1 1 d . . .
C2 C 0.45000(7) 0.44627(4) 0.05786(3) 0.01954(10) Uani 1 1 d . . .
H2A H 0.4176(12) 0.4870(7) 0.0921(6) 0.021(2) Uiso 1 1 d . . .
C3 C 0.59102(7) 0.47368(4) 0.03853(4) 0.02091(10) Uani 1 1 d . . .
C4 C 0.60052(7) 0.50463(5) -0.02956(4) 0.02413(11) Uani 1 1 d . . .
C5 C 0.46964(8) 0.50205(5) -0.06447(4) 0.02464(12) Uani 1 1 d . . .
C6 C 0.71933(10) 0.53963(7) -0.06771(5) 0.03806(19) Uani 1 1 d . . .
H6A H 0.773(2) 0.4959(14) -0.0948(11) 0.066(5) Uiso 1 1 d . . .
H6B H 0.6859(18) 0.5819(12) -0.1062(10) 0.054(4) Uiso 1 1 d . . .
H6C H 0.784(2) 0.5588(13) -0.0308(11) 0.064(5) Uiso 1 1 d . . .
C7 C 0.69585(7) 0.46700(5) 0.09383(4) 0.02489(12) Uani 1 1 d . . .
C8 C 0.82415(9) 0.43934(8) 0.07812(6) 0.03827(19) Uani 1 1 d . . .
H8A H 0.848(2) 0.4303(15) 0.0312(12) 0.069(6) Uiso 1 1 d . . .
C9 C 0.91824(11) 0.43172(10) 0.13336(7) 0.0505(3) Uani 1 1 d . . .
H9A H 1.004(3) 0.4113(19) 0.1241(16) 0.107(9) Uiso 1 1 d . . .
C10 C 0.88605(12) 0.45167(10) 0.20421(7) 0.0510(3) Uani 1 1 d . . .
H10A H 0.943(2) 0.4503(15) 0.2412(13) 0.078(7) Uiso 1 1 d . . .
C11 C 0.76041(12) 0.48260(11) 0.21948(6) 0.0545(3) Uani 1 1 d . . .
H11A H 0.745(2) 0.4988(17) 0.2690(13) 0.080(6) Uiso 1 1 d . . .
C12 C 0.66628(10) 0.48925(9) 0.16511(5) 0.0428(2) Uani 1 1 d . . .
H12A H 0.5810(18) 0.5023(12) 0.1769(9) 0.050(4) Uiso 1 1 d . . .
C13 C 0.44416(7) 0.36064(4) 0.09280(4) 0.02072(10) Uani 1 1 d . . .
C14 C 0.51079(7) 0.29198(4) 0.06285(4) 0.02367(11) Uani 1 1 d . . .
C15 C 0.51709(9) 0.21400(5) 0.09737(4) 0.02846(13) Uani 1 1 d . . .
H15A H 0.5533(16) 0.1706(10) 0.0746(8) 0.039(3) Uiso 1 1 d . . .
C16 C 0.45198(9) 0.20541(5) 0.16356(5) 0.03048(14) Uani 1 1 d . . .
C17 C 0.37909(9) 0.27090(5) 0.19393(4) 0.02913(14) Uani 1 1 d . . .
H17A H 0.3319(15) 0.2600(9) 0.2389(8) 0.035(3) Uiso 1 1 d . . .
C18 C 0.37689(7) 0.34790(4) 0.15864(4) 0.02333(11) Uani 1 1 d . . .
C19 C 0.66295(16) 0.24843(7) -0.02937(8) 0.0539(3) Uani 1 1 d . . .
H19A H 0.737(3) 0.2352(17) 0.0077(14) 0.084(7) Uiso 1 1 d . . .
H19B H 0.623(2) 0.1948(14) -0.0367(11) 0.064(5) Uiso 1 1 d . . .
H19C H 0.6848(19) 0.2673(12) -0.0707(10) 0.052(4) Uiso 1 1 d . . .
C20 C 0.53986(17) 0.06857(7) 0.18051(8) 0.0558(4) Uani 1 1 d . . .
H20A H 0.540(2) 0.0281(14) 0.2190(13) 0.074(6) Uiso 1 1 d . . .
H20B H 0.6334(19) 0.0876(11) 0.1770(9) 0.048(4) Uiso 1 1 d . . .
H20C H 0.528(3) 0.0490(15) 0.1321(13) 0.076(6) Uiso 1 1 d . . .
C21 C 0.23736(10) 0.40711(6) 0.25032(5) 0.03444(17) Uani 1 1 d . . .
H21A H 0.1701(18) 0.3655(11) 0.2436(9) 0.048(4) Uiso 1 1 d . . .
H21B H 0.2006(15) 0.4620(10) 0.2619(8) 0.037(3) Uiso 1 1 d . . .
H21C H 0.2934(16) 0.3933(10) 0.2878(9) 0.042(4) Uiso 1 1 d . . .
C22 C 0.24050(7) 0.49903(4) -0.00339(4) 0.02338(11) Uani 1 1 d . . .
C23 C 0.13961(8) 0.62087(5) 0.04911(5) 0.02944(14) Uani 1 1 d . . .
H23A H 0.0614(13) 0.5905(8) 0.0345(7) 0.024(3) Uiso 1 1 d . . .
H23B H 0.2150(15) 0.7383(9) 0.0344(8) 0.035(3) Uiso 1 1 d . . .
C24 C 0.13415(8) 0.70964(4) 0.01853(5) 0.02779(13) Uani 1 1 d . . .
C25 C 0.01609(11) 0.75444(6) 0.05529(6) 0.03830(19) Uani 1 1 d . . .
H25A H 0.0146(16) 0.8101(10) 0.0399(8) 0.036(3) Uiso 1 1 d . . .
H25B H -0.0688(17) 0.7281(11) 0.0405(9) 0.041(4) Uiso 1 1 d . . .
C26 C 0.02678(16) 0.75412(7) 0.13761(6) 0.0491(3) Uani 1 1 d . . .
H26A H -0.062(2) 0.7825(14) 0.1603(12) 0.065(5) Uiso 1 1 d . . .
H26B H 0.0982(19) 0.7828(12) 0.1557(10) 0.053(5) Uiso 1 1 d . . .
C27 C 0.03767(16) 0.66524(8) 0.16798(7) 0.0507(3) Uani 1 1 d . . .
H27A H -0.047(2) 0.6334(14) 0.1558(12) 0.068(6) Uiso 1 1 d . . .
C28 C 0.15377(13) 0.62013(6) 0.13127(6) 0.0414(2) Uani 1 1 d . . .
H28A H 0.1589(18) 0.5649(12) 0.1470(10) 0.051(4) Uiso 1 1 d . . .
H28B H 0.2371(19) 0.6465(11) 0.1418(9) 0.046(4) Uiso 1 1 d . . .
C29 C 0.12979(8) 0.71288(5) -0.06521(5) 0.02946(14) Uani 1 1 d . . .
H29A H 0.2095(14) 0.6845(9) -0.0808(7) 0.030(3) Uiso 1 1 d . . .
C30 C 0.13667(14) 0.80315(6) -0.09263(6) 0.0413(2) Uani 1 1 d . . .
H30A H 0.064(2) 0.8333(14) -0.0806(11) 0.064(5) Uiso 1 1 d . . .
H30B H 0.151(2) 0.8055(12) -0.1420(11) 0.055(5) Uiso 1 1 d . . .
H30C H 0.207(2) 0.8363(13) -0.0674(11) 0.059(5) Uiso 1 1 d . . .
C31 C 0.00904(11) 0.66831(7) -0.09804(6) 0.03994(19) Uani 1 1 d . . .
H31A H 0.0137(19) 0.6720(11) -0.1505(10) 0.050(4) Uiso 1 1 d . . .
H31B H -0.068(2) 0.6899(13) -0.0833(11) 0.064(5) Uiso 1 1 d . . .
H31C H 0.002(2) 0.6087(13) -0.0823(12) 0.066(6) Uiso 1 1 d . . .
C32 C 0.0542(3) 0.66647(13) 0.25044(8) 0.0795(7) Uani 1 1 d . . .
H32A H 0.133(2) 0.6891(15) 0.2657(12) 0.063(6) Uiso 1 1 d . . .
H32B H 0.064(3) 0.6104(16) 0.2699(15) 0.086(7) Uiso 1 1 d . . .
H32C H -0.010(3) 0.7014(18) 0.2773(17) 0.106(9) Uiso 1 1 d . . .
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'
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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C14 O2 C19 118.26(7) . . ?
C16 O3 C20 117.35(8) . . ?
C18 O4 C21 117.99(6) . . ?
C22 O6 C23 117.58(6) . . ?
C22 C1 C5 114.77(6) . . ?
C22 C1 C2 111.81(5) . . ?
C5 C1 C2 104.40(5) . . ?
C13 C2 C3 113.26(5) . . ?
C13 C2 C1 115.84(6) . . ?
C3 C2 C1 103.67(5) . . ?
C4 C3 C7 128.30(6) . . ?
C4 C3 C2 112.78(6) . . ?
C7 C3 C2 118.88(6) . . ?
C3 C4 C5 109.52(6) . . ?
C3 C4 C6 129.04(7) . . ?
C5 C4 C6 121.42(7) . . ?
O1 C5 C4 126.76(7) . . ?
O1 C5 C1 124.68(7) . . ?
C4 C5 C1 108.56(6) . . ?
C12 C7 C8 118.30(8) . . ?
C12 C7 C3 118.87(7) . . ?
C8 C7 C3 122.82(7) . . ?
C7 C8 C9 120.21(9) . . ?
C10 C9 C8 120.73(10) . . ?
C9 C10 C11 119.18(10) . . ?
C12 C11 C10 120.27(10) . . ?
C11 C12 C7 121.22(9) . . ?
C14 C13 C18 117.29(6) . . ?
C14 C13 C2 121.46(6) . . ?
C18 C13 C2 121.18(6) . . ?
O2 C14 C13 114.63(6) . . ?
O2 C14 C15 122.72(6) . . ?
C13 C14 C15 122.64(6) . . ?
C16 C15 C14 117.72(7) . . ?
O3 C16 C15 123.34(7) . . ?
O3 C16 C17 114.96(7) . . ?
C15 C16 C17 121.69(6) . . ?
C18 C17 C16 118.91(6) . . ?
O4 C18 C17 123.26(6) . . ?
O4 C18 C13 115.10(6) . . ?
C17 C18 C13 121.64(6) . . ?
O5 C22 O6 124.36(7) . . ?
O5 C22 C1 124.06(7) . . ?
O6 C22 C1 111.49(6) . . ?
O6 C23 C28 107.06(7) . . ?
O6 C23 C24 109.03(6) . . ?
C28 C23 C24 112.22(7) . . ?
C23 C24 C25 107.22(7) . . ?
C23 C24 C29 113.65(6) . . ?
C25 C24 C29 113.69(7) . . ?
C26 C25 C24 112.49(9) . . ?
C25 C26 C27 111.92(9) . . ?
C28 C27 C32 111.31(14) . . ?
C28 C27 C26 109.25(10) . . ?
C32 C27 C26 111.08(12) . . ?
C23 C28 C27 111.45(9) . . ?
C30 C29 C31 110.07(9) . . ?
C30 C29 C24 111.14(7) . . ?
C31 C29 C24 113.69(8) . . ?
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
O1 C5 1.2193(9) . ?
O2 C14 1.3621(9) . ?
O2 C19 1.4194(11) . ?
O3 C16 1.3654(10) . ?
O3 C20 1.4146(14) . ?
O4 C18 1.3665(9) . ?
O4 C21 1.4199(10) . ?
O5 C22 1.2054(10) . ?
O6 C22 1.3348(9) . ?
O6 C23 1.4646(10) . ?
C1 C22 1.5102(9) . ?
C1 C5 1.5303(10) . ?
C1 C2 1.5456(9) . ?
C2 C13 1.5111(9) . ?
C2 C3 1.5239(9) . ?
C3 C4 1.3512(9) . ?
C3 C7 1.4683(10) . ?
C4 C5 1.4633(11) . ?
C4 C6 1.4925(11) . ?
C7 C12 1.3919(12) . ?
C7 C8 1.3920(12) . ?
C8 C9 1.3935(15) . ?
C9 C10 1.3815(19) . ?
C10 C11 1.3831(17) . ?
C11 C12 1.3809(14) . ?
C13 C14 1.3968(9) . ?
C13 C18 1.4027(9) . ?
C14 C15 1.3984(10) . ?
C15 C16 1.3899(11) . ?
C16 C17 1.3926(11) . ?
C17 C18 1.3897(10) . ?
C23 C28 1.5199(14) . ?
C23 C24 1.5249(11) . ?
C24 C25 1.5407(12) . ?
C24 C29 1.5436(12) . ?
C25 C26 1.5199(15) . ?
C26 C27 1.5280(15) . ?
C27 C28 1.5275(16) . ?
C27 C32 1.528(2) . ?
C29 C30 1.5274(13) . ?
C29 C31 1.5299(14) . ?
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
C22 C1 C2 C13 101.03(6) . . . . ?
C5 C1 C2 C13 -134.32(6) . . . . ?
C22 C1 C2 C3 -134.27(6) . . . . ?
C5 C1 C2 C3 -9.61(6) . . . . ?
C13 C2 C3 C4 132.79(6) . . . . ?
C1 C2 C3 C4 6.43(7) . . . . ?
C13 C2 C3 C7 -49.36(8) . . . . ?
C1 C2 C3 C7 -175.72(6) . . . . ?
C7 C3 C4 C5 -177.70(7) . . . . ?
C2 C3 C4 C5 -0.10(8) . . . . ?
C7 C3 C4 C6 0.67(14) . . . . ?
C2 C3 C4 C6 178.28(8) . . . . ?
C3 C4 C5 O1 174.28(8) . . . . ?
C6 C4 C5 O1 -4.24(13) . . . . ?
C3 C4 C5 C1 -6.50(8) . . . . ?
C6 C4 C5 C1 174.98(7) . . . . ?
C22 C1 C5 O1 -47.91(10) . . . . ?
C2 C1 C5 O1 -170.66(8) . . . . ?
C22 C1 C5 C4 132.85(6) . . . . ?
C2 C1 C5 C4 10.11(7) . . . . ?
C4 C3 C7 C12 136.45(10) . . . . ?
C2 C3 C7 C12 -41.03(11) . . . . ?
C4 C3 C7 C8 -43.51(12) . . . . ?
C2 C3 C7 C8 139.01(9) . . . . ?
C12 C7 C8 C9 2.14(17) . . . . ?
C3 C7 C8 C9 -177.91(11) . . . . ?
C7 C8 C9 C10 -0.2(2) . . . . ?
C8 C9 C10 C11 -2.5(2) . . . . ?
C9 C10 C11 C12 3.4(3) . . . . ?
C10 C11 C12 C7 -1.4(2) . . . . ?
C8 C7 C12 C11 -1.32(19) . . . . ?
C3 C7 C12 C11 178.72(12) . . . . ?
C3 C2 C13 C14 -48.59(9) . . . . ?
C1 C2 C13 C14 71.01(9) . . . . ?
C3 C2 C13 C18 128.22(7) . . . . ?
C1 C2 C13 C18 -112.18(7) . . . . ?
C19 O2 C14 C13 165.27(10) . . . . ?
C19 O2 C14 C15 -15.42(14) . . . . ?
C18 C13 C14 O2 176.46(7) . . . . ?
C2 C13 C14 O2 -6.60(11) . . . . ?
C18 C13 C14 C15 -2.85(12) . . . . ?
C2 C13 C14 C15 174.08(7) . . . . ?
O2 C14 C15 C16 -178.22(8) . . . . ?
C13 C14 C15 C16 1.04(13) . . . . ?
C20 O3 C16 C15 10.04(17) . . . . ?
C20 O3 C16 C17 -170.99(12) . . . . ?
C14 C15 C16 O3 -179.08(9) . . . . ?
C14 C15 C16 C17 2.01(14) . . . . ?
O3 C16 C17 C18 177.92(9) . . . . ?
C15 C16 C17 C18 -3.09(14) . . . . ?
C21 O4 C18 C17 -2.15(13) . . . . ?
C21 O4 C18 C13 178.18(8) . . . . ?
C16 C17 C18 O4 -178.50(8) . . . . ?
C16 C17 C18 C13 1.14(13) . . . . ?
C14 C13 C18 O4 -178.60(7) . . . . ?
C2 C13 C18 O4 4.45(10) . . . . ?
C14 C13 C18 C17 1.73(11) . . . . ?
C2 C13 C18 C17 -175.22(7) . . . . ?
C23 O6 C22 O5 11.30(12) . . . . ?
C23 O6 C22 C1 -165.43(7) . . . . ?
C5 C1 C22 O5 128.97(9) . . . . ?
C2 C1 C22 O5 -112.37(9) . . . . ?
C5 C1 C22 O6 -54.28(8) . . . . ?
C2 C1 C22 O6 64.38(8) . . . . ?
C22 O6 C23 C28 102.35(9) . . . . ?
C22 O6 C23 C24 -136.03(7) . . . . ?
O6 C23 C24 C25 -176.02(8) . . . . ?
C28 C23 C24 C25 -57.58(10) . . . . ?
O6 C23 C24 C29 57.48(9) . . . . ?
C28 C23 C24 C29 175.91(8) . . . . ?
C23 C24 C25 C26 56.48(11) . . . . ?
C29 C24 C25 C26 -177.04(9) . . . . ?
C24 C25 C26 C27 -56.96(15) . . . . ?
C25 C26 C27 C28 54.45(17) . . . . ?
C25 C26 C27 C32 177.63(16) . . . . ?
O6 C23 C28 C27 178.90(9) . . . . ?
C24 C23 C28 C27 59.32(12) . . . . ?
C32 C27 C28 C23 -178.45(14) . . . . ?
C26 C27 C28 C23 -55.41(15) . . . . ?
C23 C24 C29 C30 -175.06(8) . . . . ?
C25 C24 C29 C30 61.92(10) . . . . ?
C23 C24 C29 C31 60.10(10) . . . . ?
C25 C24 C29 C31 -62.93(10) . . . . ?
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 ChemSpider 30653055
