#------------------------------------------------------------------------------
#$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $
#$Revision: 176729 $
#$URL: svn://www.crystallography.net/cod/cif/1/50/38/1503818.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_1503818
loop_
_publ_author_name
'Uchida, Takuya'
'Rodriquez, Manuela'
'Schreiber, Stuart L.'
_publ_section_title
;
 Skeletally diverse small molecules using a build/couple/pair strategy.
;
_journal_issue                   7
_journal_name_full               'Organic letters'
_journal_page_first              1559
_journal_page_last               1562
_journal_paper_doi               10.1021/ol900173t
_journal_volume                  11
_journal_year                    2009
_chemical_formula_moiety         'C31 H34 N2 O6'
_chemical_formula_sum            'C31 H34 N2 O6'
_chemical_formula_weight         530.60
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_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                 99.441(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.7471(14)
_cell_length_b                   16.829(2)
_cell_length_c                   15.162(2)
_cell_measurement_reflns_used    1007
_cell_measurement_temperature    193(2)
_cell_measurement_theta_max      21.63
_cell_measurement_theta_min      2.42
_cell_volume                     2705.1(6)
_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, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      193(2)
_diffrn_detector_area_resol_mean 836.6
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker CCD'
_diffrn_measurement_method       'ω, 0.3 deg'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1099
_diffrn_reflns_av_sigmaI/netI    0.1693
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            14446
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.82
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    0.090
_exptl_absorpt_correction_T_max  0.9973
_exptl_absorpt_correction_T_min  0.9848
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.303
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1128
_exptl_crystal_size_max          0.17
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.03
_refine_diff_density_max         0.217
_refine_diff_density_min         -0.211
_refine_diff_density_rms         0.051
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.958
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     356
_refine_ls_number_reflns         4753
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.958
_refine_ls_R_factor_all          0.1669
_refine_ls_R_factor_gt           0.0502
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0110P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0669
_refine_ls_wR_factor_ref         0.0827
_reflns_number_gt                1989
_reflns_number_total             4753
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ol900173t_si_001.cif
_cod_data_source_block           sls123t
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'Multi-scan' changed to
'multi-scan' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               1503818
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_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
C1 C 0.1746(3) 0.51806(18) 0.5342(2) 0.0276(9) Uani 1 1 d .
H1 H 0.1429 0.4863 0.5773 0.033 Uiso 1 1 calc R
C2 C 0.1337(3) 0.5958(2) 0.5202(2) 0.0274(9) Uani 1 1 d .
C3 C 0.1784(3) 0.6426(2) 0.4554(2) 0.0305(9) Uani 1 1 d .
C4 C 0.2653(3) 0.61053(18) 0.4069(2) 0.0315(9) Uani 1 1 d .
H4 H 0.2964 0.6417 0.3631 0.038 Uiso 1 1 calc R
C5 C 0.3070(3) 0.53226(19) 0.4226(2) 0.0263(9) Uani 1 1 d .
C6 C 0.2616(3) 0.48600(19) 0.4855(2) 0.0236(8) Uani 1 1 d .
C7 C 0.3113(3) 0.40069(18) 0.4959(2) 0.0249(8) Uani 1 1 d .
H7 H 0.4034 0.4030 0.5205 0.030 Uiso 1 1 calc R
C8 C 0.3335(3) 0.41395(17) 0.3330(2) 0.0343(9) Uani 1 1 d .
H8A H 0.2580 0.4260 0.2883 0.041 Uiso 1 1 calc R
H8B H 0.3932 0.3836 0.3028 0.041 Uiso 1 1 calc R
C9 C 0.3950(3) 0.49104(17) 0.3693(2) 0.0329(9) Uani 1 1 d .
H9A H 0.4766 0.4799 0.4079 0.039 Uiso 1 1 calc R
H9B H 0.4109 0.5255 0.3194 0.039 Uiso 1 1 calc R
C10 C 0.2471(3) 0.34959(17) 0.55885(19) 0.0233(8) Uani 1 1 d .
H10 H 0.1555 0.3637 0.5479 0.028 Uiso 1 1 calc R
C11 C 0.2564(3) 0.26147(17) 0.54065(19) 0.0257(8) Uani 1 1 d .
H11 H 0.2015 0.2323 0.5770 0.031 Uiso 1 1 calc R
C12 C 0.2390(3) 0.2947(2) 0.3795(2) 0.0275(9) Uani 1 1 d .
C13 C 0.1516(3) 0.16971(19) 0.4215(2) 0.0265(9) Uani 1 1 d .
C14 C 0.2236(3) 0.10792(19) 0.3957(2) 0.0359(9) Uani 1 1 d .
H14 H 0.3106 0.1156 0.3937 0.043 Uiso 1 1 calc R
C15 C 0.1676(3) 0.03536(19) 0.3731(2) 0.0377(10) Uani 1 1 d .
H15 H 0.2162 -0.0069 0.3549 0.045 Uiso 1 1 calc R
C16 C 0.0417(3) 0.0237(2) 0.3768(2) 0.0316(9) Uani 1 1 d .
C17 C -0.0293(3) 0.08421(19) 0.4042(2) 0.0361(10) Uani 1 1 d .
H17 H -0.1159 0.0760 0.4074 0.043 Uiso 1 1 calc R
C18 C 0.0276(3) 0.15825(18) 0.4276(2) 0.0325(9) Uani 1 1 d .
H18 H -0.0202 0.2001 0.4476 0.039 Uiso 1 1 calc R
C19 C 0.2983(3) 0.36894(17) 0.65774(18) 0.0275(9) Uani 1 1 d .
H19A H 0.3852 0.3480 0.6733 0.033 Uiso 1 1 calc R
H19B H 0.3020 0.4273 0.6657 0.033 Uiso 1 1 calc R
C20 C 0.2172(3) 0.33377(19) 0.7206(2) 0.0287(9) Uani 1 1 d .
C21 C 0.0949(3) 0.3595(2) 0.7197(2) 0.0417(10) Uani 1 1 d .
H21 H 0.0615 0.4001 0.6790 0.050 Uiso 1 1 calc R
C22 C 0.0201(3) 0.3275(2) 0.7769(2) 0.0510(11) Uani 1 1 d .
H22 H -0.0639 0.3460 0.7744 0.061 Uiso 1 1 calc R
C23 C 0.0659(4) 0.2692(2) 0.8374(2) 0.0526(11) Uani 1 1 d .
H23 H 0.0152 0.2480 0.8775 0.063 Uiso 1 1 calc R
C24 C 0.1858(4) 0.2428(2) 0.8381(2) 0.0562(12) Uani 1 1 d .
H24 H 0.2185 0.2019 0.8784 0.067 Uiso 1 1 calc R
C25 C 0.2613(3) 0.2748(2) 0.7808(2) 0.0407(10) Uani 1 1 d .
H25 H 0.3449 0.2556 0.7832 0.049 Uiso 1 1 calc R
C26 C 0.3899(3) 0.22825(19) 0.5627(2) 0.0302(9) Uani 1 1 d .
C27 C 0.5073(3) 0.11214(18) 0.6084(2) 0.0442(10) Uani 1 1 d .
H27A H 0.5655 0.1336 0.6603 0.053 Uiso 1 1 calc R
H27B H 0.5474 0.1176 0.5544 0.053 Uiso 1 1 calc R
C28 C 0.4779(3) 0.02583(18) 0.6239(2) 0.0588(12) Uani 1 1 d .
H28A H 0.4347 0.0216 0.6758 0.088 Uiso 1 1 calc R
H28B H 0.5566 -0.0047 0.6350 0.088 Uiso 1 1 calc R
H28C H 0.4234 0.0047 0.5709 0.088 Uiso 1 1 calc R
C29 C 0.0288(3) 0.59584(19) 0.6474(2) 0.0408(10) Uani 1 1 d .
H29A H -0.0199 0.5469 0.6333 0.061 Uiso 1 1 calc R
H29B H -0.0184 0.6322 0.6801 0.061 Uiso 1 1 calc R
H29C H 0.1099 0.5831 0.6844 0.061 Uiso 1 1 calc R
C30 C 0.1909(3) 0.77368(18) 0.3958(2) 0.0531(11) Uani 1 1 d .
H30A H 0.2808 0.7772 0.4209 0.080 Uiso 1 1 calc R
H30B H 0.1517 0.8261 0.3982 0.080 Uiso 1 1 calc R
H30C H 0.1813 0.7559 0.3335 0.080 Uiso 1 1 calc R
C31 C -0.1355(3) -0.06467(19) 0.3493(2) 0.0575(12) Uani 1 1 d .
H31A H -0.1549 -0.0598 0.4100 0.086 Uiso 1 1 calc R
H31B H -0.1563 -0.1184 0.3268 0.086 Uiso 1 1 calc R
H31C H -0.1853 -0.0259 0.3102 0.086 Uiso 1 1 calc R
N1 N 0.2967(2) 0.36558(15) 0.40502(16) 0.0281(7) Uani 1 1 d .
N2 N 0.2103(2) 0.24592(14) 0.44595(17) 0.0278(7) Uani 1 1 d .
O1 O 0.13044(19) 0.71775(13) 0.44691(14) 0.0381(6) Uani 1 1 d .
O2 O 0.05032(19) 0.63289(12) 0.56612(14) 0.0340(6) Uani 1 1 d .
O3 O 0.21401(18) 0.27562(12) 0.30027(14) 0.0362(6) Uani 1 1 d .
O4 O 0.4841(2) 0.26064(13) 0.54848(15) 0.0465(7) Uani 1 1 d .
O5 O 0.38786(19) 0.15449(12) 0.59665(13) 0.0345(6) Uani 1 1 d .
O6 O -0.0041(2) -0.04996(13) 0.35070(14) 0.0465(7) Uani 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'
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
C2 C1 C6 120.6(3)
C2 C1 H1 119.7
C6 C1 H1 119.7
O2 C2 C1 124.7(3)
O2 C2 C3 115.2(3)
C1 C2 C3 120.1(3)
O1 C3 C4 126.0(3)
O1 C3 C2 114.8(3)
C4 C3 C2 119.2(3)
C3 C4 C5 120.0(3)
C3 C4 H4 120.0
C5 C4 H4 120.0
C6 C5 C4 120.6(3)
C6 C5 C9 115.7(3)
C4 C5 C9 123.6(3)
C5 C6 C1 119.5(3)
C5 C6 C7 116.3(3)
C1 C6 C7 124.3(3)
N1 C7 C10 111.5(2)
N1 C7 C6 107.2(2)
C10 C7 C6 113.9(3)
N1 C7 H7 108.0
C10 C7 H7 108.0
C6 C7 H7 108.0
N1 C8 C9 111.0(3)
N1 C8 H8A 109.4
C9 C8 H8A 109.4
N1 C8 H8B 109.4
C9 C8 H8B 109.4
H8A C8 H8B 108.0
C5 C9 C8 108.3(3)
C5 C9 H9A 110.0
C8 C9 H9A 110.0
C5 C9 H9B 110.0
C8 C9 H9B 110.0
H9A C9 H9B 108.4
C11 C10 C7 112.7(2)
C11 C10 C19 111.1(2)
C7 C10 C19 111.2(2)
C11 C10 H10 107.2
C7 C10 H10 107.2
C19 C10 H10 107.2
N2 C11 C10 109.4(2)
N2 C11 C26 107.7(2)
C10 C11 C26 114.0(2)
N2 C11 H11 108.5
C10 C11 H11 108.5
C26 C11 H11 108.5
O3 C12 N1 121.3(3)
O3 C12 N2 121.4(3)
N1 C12 N2 117.3(3)
C18 C13 C14 120.6(3)
C18 C13 N2 119.7(3)
C14 C13 N2 119.7(3)
C15 C14 C13 119.4(3)
C15 C14 H14 120.3
C13 C14 H14 120.3
C16 C15 C14 120.5(3)
C16 C15 H15 119.8
C14 C15 H15 119.8
O6 C16 C17 124.6(3)
O6 C16 C15 115.2(3)
C17 C16 C15 120.2(3)
C16 C17 C18 119.5(3)
C16 C17 H17 120.3
C18 C17 H17 120.3
C13 C18 C17 119.7(3)
C13 C18 H18 120.1
C17 C18 H18 120.1
C20 C19 C10 112.3(2)
C20 C19 H19A 109.2
C10 C19 H19A 109.2
C20 C19 H19B 109.2
C10 C19 H19B 109.2
H19A C19 H19B 107.9
C25 C20 C21 117.1(3)
C25 C20 C19 121.9(3)
C21 C20 C19 121.0(3)
C20 C21 C22 121.3(3)
C20 C21 H21 119.3
C22 C21 H21 119.3
C23 C22 C21 120.9(4)
C23 C22 H22 119.5
C21 C22 H22 119.5
C24 C23 C22 118.1(4)
C24 C23 H23 120.9
C22 C23 H23 120.9
C23 C24 C25 121.2(4)
C23 C24 H24 119.4
C25 C24 H24 119.4
C20 C25 C24 121.3(3)
C20 C25 H25 119.3
C24 C25 H25 119.3
O4 C26 O5 123.7(3)
O4 C26 C11 125.8(3)
O5 C26 C11 110.4(3)
O5 C27 C28 106.7(3)
O5 C27 H27A 110.4
C28 C27 H27A 110.4
O5 C27 H27B 110.4
C28 C27 H27B 110.4
H27A C27 H27B 108.6
C27 C28 H28A 109.5
C27 C28 H28B 109.5
H28A C28 H28B 109.5
C27 C28 H28C 109.5
H28A C28 H28C 109.5
H28B C28 H28C 109.5
O2 C29 H29A 109.5
O2 C29 H29B 109.5
H29A C29 H29B 109.5
O2 C29 H29C 109.5
H29A C29 H29C 109.5
H29B C29 H29C 109.5
O1 C30 H30A 109.5
O1 C30 H30B 109.5
H30A C30 H30B 109.5
O1 C30 H30C 109.5
H30A C30 H30C 109.5
H30B C30 H30C 109.5
O6 C31 H31A 109.5
O6 C31 H31B 109.5
H31A C31 H31B 109.5
O6 C31 H31C 109.5
H31A C31 H31C 109.5
H31B C31 H31C 109.5
C12 N1 C8 115.9(3)
C12 N1 C7 125.7(3)
C8 N1 C7 118.0(2)
C12 N2 C13 118.8(3)
C12 N2 C11 122.2(3)
C13 N2 C11 118.2(2)
C3 O1 C30 117.4(2)
C2 O2 C29 116.7(2)
C26 O5 C27 115.4(2)
C16 O6 C31 117.9(3)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
C1 C2 1.384(4)
C1 C6 1.391(4)
C1 H1 0.9500
C2 O2 1.372(3)
C2 C3 1.405(4)
C3 O1 1.364(3)
C3 C4 1.388(4)
C4 C5 1.399(4)
C4 H4 0.9500
C5 C6 1.381(4)
C5 C9 1.510(4)
C6 C7 1.531(4)
C7 N1 1.483(3)
C7 C10 1.531(4)
C7 H7 1.0000
C8 N1 1.467(3)
C8 C9 1.517(4)
C8 H8A 0.9900
C8 H8B 0.9900
C9 H9A 0.9900
C9 H9B 0.9900
C10 C11 1.515(3)
C10 C19 1.545(3)
C10 H10 1.0000
C11 N2 1.464(3)
C11 C26 1.525(4)
C11 H11 1.0000
C12 O3 1.229(3)
C12 N1 1.371(3)
C12 N2 1.374(3)
C13 C18 1.365(4)
C13 C14 1.390(4)
C13 N2 1.450(3)
C14 C15 1.380(4)
C14 H14 0.9500
C15 C16 1.377(4)
C15 H15 0.9500
C16 O6 1.368(3)
C16 C17 1.376(4)
C17 C18 1.407(4)
C17 H17 0.9500
C18 H18 0.9500
C19 C20 1.513(4)
C19 H19A 0.9900
C19 H19B 0.9900
C20 C25 1.378(4)
C20 C21 1.382(4)
C21 C22 1.385(4)
C21 H21 0.9500
C22 C23 1.377(4)
C22 H22 0.9500
C23 C24 1.361(4)
C23 H23 0.9500
C24 C25 1.390(4)
C24 H24 0.9500
C25 H25 0.9500
C26 O4 1.200(3)
C26 O5 1.345(3)
C27 O5 1.453(3)
C27 C28 1.513(4)
C27 H27A 0.9900
C27 H27B 0.9900
C28 H28A 0.9800
C28 H28B 0.9800
C28 H28C 0.9800
C29 O2 1.434(3)
C29 H29A 0.9800
C29 H29B 0.9800
C29 H29C 0.9800
C30 O1 1.440(3)
C30 H30A 0.9800
C30 H30B 0.9800
C30 H30C 0.9800
C31 O6 1.430(3)
C31 H31A 0.9800
C31 H31B 0.9800
C31 H31C 0.9800
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
C6 C1 C2 O2 -178.6(3)
C6 C1 C2 C3 1.1(5)
O2 C2 C3 O1 -1.0(4)
C1 C2 C3 O1 179.2(3)
O2 C2 C3 C4 178.7(3)
C1 C2 C3 C4 -1.1(5)
O1 C3 C4 C5 179.8(3)
C2 C3 C4 C5 0.2(5)
C3 C4 C5 C6 0.7(5)
C3 C4 C5 C9 176.1(3)
C4 C5 C6 C1 -0.7(5)
C9 C5 C6 C1 -176.5(3)
C4 C5 C6 C7 178.7(3)
C9 C5 C6 C7 2.9(4)
C2 C1 C6 C5 -0.2(5)
C2 C1 C6 C7 -179.6(3)
C5 C6 C7 N1 -49.9(3)
C1 C6 C7 N1 129.5(3)
C5 C6 C7 C10 -173.7(3)
C1 C6 C7 C10 5.7(4)
C6 C5 C9 C8 50.0(4)
C4 C5 C9 C8 -125.7(3)
N1 C8 C9 C5 -53.7(3)
N1 C7 C10 C11 35.3(3)
C6 C7 C10 C11 156.8(2)
N1 C7 C10 C19 160.8(2)
C6 C7 C10 C19 -77.7(3)
C7 C10 C11 N2 -52.9(3)
C19 C10 C11 N2 -178.5(2)
C7 C10 C11 C26 67.8(3)
C19 C10 C11 C26 -57.8(3)
C18 C13 C14 C15 2.3(5)
N2 C13 C14 C15 179.5(3)
C13 C14 C15 C16 -0.6(5)
C14 C15 C16 O6 178.4(3)
C14 C15 C16 C17 -0.9(5)
O6 C16 C17 C18 -178.5(3)
C15 C16 C17 C18 0.6(5)
C14 C13 C18 C17 -2.6(5)
N2 C13 C18 C17 -179.7(3)
C16 C17 C18 C13 1.1(5)
C11 C10 C19 C20 -66.6(3)
C7 C10 C19 C20 166.9(3)
C10 C19 C20 C25 114.0(3)
C10 C19 C20 C21 -65.7(4)
C25 C20 C21 C22 0.1(5)
C19 C20 C21 C22 179.9(3)
C20 C21 C22 C23 0.6(5)
C21 C22 C23 C24 -1.3(6)
C22 C23 C24 C25 1.3(6)
C21 C20 C25 C24 -0.1(5)
C19 C20 C25 C24 -179.8(3)
C23 C24 C25 C20 -0.7(6)
N2 C11 C26 O4 81.6(4)
C10 C11 C26 O4 -40.0(4)
N2 C11 C26 O5 -95.1(3)
C10 C11 C26 O5 143.3(3)
O3 C12 N1 C8 -3.8(4)
N2 C12 N1 C8 176.2(2)
O3 C12 N1 C7 168.8(3)
N2 C12 N1 C7 -11.2(4)
C9 C8 N1 C12 179.4(3)
C9 C8 N1 C7 6.2(4)
C10 C7 N1 C12 -2.9(4)
C6 C7 N1 C12 -128.2(3)
C10 C7 N1 C8 169.6(2)
C6 C7 N1 C8 44.3(3)
O3 C12 N2 C13 1.3(4)
N1 C12 N2 C13 -178.7(3)
O3 C12 N2 C11 170.2(3)
N1 C12 N2 C11 -9.7(4)
C18 C13 N2 C12 -108.0(3)
C14 C13 N2 C12 74.8(4)
C18 C13 N2 C11 82.6(4)
C14 C13 N2 C11 -94.6(4)
C10 C11 N2 C12 41.5(4)
C26 C11 N2 C12 -83.0(3)
C10 C11 N2 C13 -149.5(3)
C26 C11 N2 C13 86.0(3)
C4 C3 O1 C30 -12.2(5)
C2 C3 O1 C30 167.4(3)
C1 C2 O2 C29 16.0(4)
C3 C2 O2 C29 -163.8(3)
O4 C26 O5 C27 -5.2(4)
C11 C26 O5 C27 171.5(2)
C28 C27 O5 C26 -165.9(3)
C17 C16 O6 C31 1.8(5)
C15 C16 O6 C31 -177.4(3)
