#------------------------------------------------------------------------------
#$Date: 2018-09-10 05:22:38 +0300 (Mon, 10 Sep 2018) $
#$Revision: 210726 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/10/21/7102135.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_7102135
loop_
_publ_author_name
'Liu, Shi-Qiang'
'Wang, De-Xian'
'Zheng, Qi-Yu'
'Wang, Mei-Xiang'
_publ_section_title
;
 Synthesis and structure of nitrogen bridged calix[5]- and -[10]-pyridines
 and their complexation with fullerenes
;
_journal_coden_ASTM              CHCOFS
_journal_issue                   37
_journal_name_full
;
 Chemical Communications (Cambridge, United Kingdom)
;
_journal_page_first              3856
_journal_page_last               3858
_journal_paper_doi               10.1039/b705595a
_journal_year                    2007
_chemical_formula_sum            'C66 H72 N20 O2'
_chemical_formula_weight         1177.44
_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                 124.47(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   17.920(4)
_cell_length_b                   8.3524(17)
_cell_length_c                   27.638(9)
_cell_measurement_reflns_used    5658
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      1.52
_cell_volume                     3410.4(15)
_computing_cell_refinement       'Rapid Auto(Rigaku 2001)'
_computing_data_collection       'Rapid Auto(Rigaku 2001)'
_computing_data_reduction        'Rapid Auto(Rigaku 2001)'
_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      293(2)
_diffrn_measured_fraction_theta_full 0.942
_diffrn_measured_fraction_theta_max 0.942
_diffrn_measurement_device_type  'Rigaku raxis Rapid IP'
_diffrn_measurement_method       oscillation
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0511
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       0
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            5658
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.52
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.074
_exptl_absorpt_correction_T_max  0.9868
_exptl_absorpt_correction_T_min  0.9825
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   ABSCOR
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.147
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1248
_exptl_crystal_size_max          0.75
_exptl_crystal_size_mid          0.54
_exptl_crystal_size_min          0.35
_refine_diff_density_max         0.893
_refine_diff_density_min         -0.462
_refine_diff_density_rms         0.134
_refine_ls_extinction_coef       0.019(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.295
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     440
_refine_ls_number_reflns         5658
_refine_ls_number_restraints     104
_refine_ls_restrained_S_all      1.316
_refine_ls_R_factor_all          0.1594
_refine_ls_R_factor_gt           0.1221
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.2000P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3262
_refine_ls_wR_factor_ref         0.3614
_reflns_number_gt                3472
_reflns_number_total             5658
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b705595a.txt
_cod_data_source_block           t10
_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.

'_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 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      P2(1)/C
_cod_database_code               7102135
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_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
N1 N 0.5139(2) -0.1355(5) 0.36403(17) 0.0662(10) Uani 1 1 d . . .
N2 N 0.3831(3) -0.0243(5) 0.34621(18) 0.0705(11) Uani 1 1 d . . .
N3 N 0.2765(2) 0.1335(4) 0.34704(16) 0.0578(9) Uani 1 1 d . . .
N4 N 0.1764(2) 0.3074(4) 0.34652(18) 0.0673(11) Uani 1 1 d . . .
N5 N 0.0757(2) 0.4832(4) 0.34520(16) 0.0626(10) Uani 1 1 d . . .
N6 N -0.0153(3) 0.6750(5) 0.34698(18) 0.0723(11) Uani 1 1 d . . .
N7 N 0.0387(2) 0.8831(5) 0.41254(17) 0.0598(10) Uani 1 1 d . . .
N8 N 0.0730(2) 1.1065(5) 0.47039(18) 0.0718(11) Uani 1 1 d . . .
N9 N 0.2153(3) 1.1830(5) 0.54934(18) 0.0718(11) Uani 1 1 d . . .
N10 N 0.3615(3) 1.2457(7) 0.62695(19) 0.0891(15) Uani 1 1 d . . .
C1 C 0.5960(3) -0.1980(6) 0.4007(2) 0.0695(13) Uani 1 1 d . . .
C2 C 0.6341(3) -0.2191(7) 0.4588(2) 0.0815(16) Uani 1 1 d . . .
H2 H 0.6925 -0.2596 0.4832 0.098 Uiso 1 1 calc R . .
C3 C 0.5836(3) -0.1784(8) 0.4810(3) 0.0879(17) Uani 1 1 d . . .
H3 H 0.6075 -0.1931 0.5206 0.105 Uiso 1 1 calc R . .
C4 C 0.4982(3) -0.1163(7) 0.4441(2) 0.0741(14) Uani 1 1 d . . .
H4 H 0.4636 -0.0886 0.4581 0.089 Uiso 1 1 calc R . .
C5 C 0.4649(3) -0.0959(6) 0.3858(2) 0.0613(12) Uani 1 1 d . . .
C6 C 0.3698(4) 0.0541(9) 0.2962(3) 0.104(2) Uani 1 1 d . . .
H6A H 0.4183 0.1283 0.3085 0.156 Uiso 1 1 calc R . .
H6B H 0.3133 0.1109 0.2761 0.156 Uiso 1 1 calc R . .
H6C H 0.3688 -0.0239 0.2704 0.156 Uiso 1 1 calc R . .
C7 C 0.3154(3) -0.0104(5) 0.3582(2) 0.0595(11) Uani 1 1 d . . .
C8 C 0.2908(3) -0.1373(5) 0.3775(2) 0.0691(13) Uani 1 1 d . . .
H8 H 0.3197 -0.2358 0.3852 0.083 Uiso 1 1 calc R . .
C9 C 0.2221(3) -0.1152(6) 0.3852(2) 0.0738(13) Uani 1 1 d . . .
H9 H 0.2030 -0.2002 0.3973 0.089 Uiso 1 1 calc R . .
C10 C 0.1821(3) 0.0307(6) 0.3750(2) 0.0681(13) Uani 1 1 d . . .
H10 H 0.1366 0.0478 0.3811 0.082 Uiso 1 1 calc R . .
C11 C 0.2107(3) 0.1525(5) 0.35556(19) 0.0559(10) Uani 1 1 d . . .
C12 C 0.2372(4) 0.4389(6) 0.3607(4) 0.111(3) Uani 1 1 d . . .
H12A H 0.2646 0.4698 0.4008 0.167 Uiso 1 1 calc R . .
H12B H 0.2042 0.5278 0.3354 0.167 Uiso 1 1 calc R . .
H12C H 0.2834 0.4068 0.3552 0.167 Uiso 1 1 calc R . .
C13 C 0.0879(3) 0.3397(5) 0.3278(2) 0.0626(11) Uani 1 1 d . . .
C14 C 0.0151(3) 0.2402(6) 0.2905(2) 0.0729(13) Uani 1 1 d . . .
H14 H 0.0235 0.1421 0.2784 0.087 Uiso 1 1 calc R . .
C15 C -0.0685(3) 0.2912(7) 0.2726(2) 0.0816(15) Uani 1 1 d . . .
H15 H -0.1184 0.2278 0.2470 0.098 Uiso 1 1 calc R . .
C16 C -0.0814(3) 0.4343(7) 0.2912(2) 0.0793(15) Uani 1 1 d . . .
H16 H -0.1388 0.4664 0.2799 0.095 Uiso 1 1 calc R . .
C17 C -0.0081(3) 0.5274(6) 0.3266(2) 0.0637(12) Uani 1 1 d . . .
C18 C -0.0937(4) 0.7736(7) 0.3077(2) 0.0872(17) Uani 1 1 d . . .
H18A H -0.0742 0.8782 0.3050 0.131 Uiso 1 1 calc R . .
H18B H -0.1306 0.7827 0.3227 0.131 Uiso 1 1 calc R . .
H18C H -0.1284 0.7253 0.2695 0.131 Uiso 1 1 calc R . .
C19 C 0.0470(3) 0.7306(5) 0.4042(2) 0.0604(11) Uani 1 1 d . . .
C20 C 0.1095(3) 0.6307(6) 0.4490(2) 0.0694(13) Uani 1 1 d . . .
H20 H 0.1143 0.5232 0.4424 0.083 Uiso 1 1 calc R . .
C21 C 0.1641(3) 0.6978(6) 0.5039(2) 0.0745(14) Uani 1 1 d . . .
H21 H 0.2069 0.6346 0.5352 0.089 Uiso 1 1 calc R . .
C22 C 0.1565(4) 0.8564(7) 0.5131(2) 0.0787(14) Uani 1 1 d . . .
H22 H 0.1942 0.9023 0.5501 0.094 Uiso 1 1 calc R . .
C23 C 0.0918(3) 0.9450(5) 0.4662(2) 0.0619(12) Uani 1 1 d . . .
C24 C -0.0134(4) 1.1726(7) 0.4233(2) 0.0866(16) Uani 1 1 d . . .
H24A H -0.0147 1.2853 0.4297 0.130 Uiso 1 1 calc R . .
H24B H -0.0615 1.1203 0.4228 0.130 Uiso 1 1 calc R . .
H24C H -0.0209 1.1559 0.3864 0.130 Uiso 1 1 calc R . .
C25 C 0.1253(3) 1.1979(6) 0.5207(2) 0.0656(12) Uani 1 1 d . . .
C26 C 0.0860(3) 1.3023(6) 0.5383(2) 0.0743(14) Uani 1 1 d . . .
H26 H 0.0234 1.3121 0.5174 0.089 Uiso 1 1 calc R . .
C27 C 0.1419(4) 1.3915(7) 0.5875(3) 0.0820(16) Uani 1 1 d . . .
H27 H 0.1171 1.4623 0.6007 0.098 Uiso 1 1 calc R . .
C28 C 0.2345(4) 1.3779(7) 0.6178(2) 0.0776(14) Uani 1 1 d . . .
H28 H 0.2727 1.4398 0.6509 0.093 Uiso 1 1 calc R . .
C29 C 0.2688(3) 1.2705(7) 0.5977(2) 0.0732(14) Uani 1 1 d . . .
C30 C 0.4189(5) 1.2832(15) 0.6894(3) 0.165(5) Uani 1 1 d . . .
H30A H 0.4423 1.3899 0.6946 0.247 Uiso 1 1 calc R . .
H30B H 0.4682 1.2086 0.7089 0.247 Uiso 1 1 calc R . .
H30C H 0.3839 1.2760 0.7057 0.247 Uiso 1 1 calc R . .
O1 O 0.5710(11) 0.151(2) 0.8736(7) 0.186(6) Uani 0.431(9) 1 d PDU A 1
C31 C 0.6136(13) 0.231(3) 0.9684(8) 0.145(7) Uani 0.431(9) 1 d PDU A 1
H31A H 0.6572 0.2933 0.9670 0.218 Uiso 0.431(9) 1 calc PR A 1
H31B H 0.6444 0.1525 0.9991 0.218 Uiso 0.431(9) 1 calc PR A 1
H31C H 0.5784 0.2993 0.9760 0.218 Uiso 0.431(9) 1 calc PR A 1
C32 C 0.5525(9) 0.1475(14) 0.9109(7) 0.161(7) Uani 0.431(9) 1 d PDU A 1
C33 C 0.4700(11) 0.061(2) 0.8987(9) 0.143(6) Uani 0.431(9) 1 d PDU A 1
H33A H 0.4312 0.0362 0.8576 0.215 Uiso 0.431(9) 1 calc PR A 1
H33B H 0.4381 0.1285 0.9094 0.215 Uiso 0.431(9) 1 calc PR A 1
H33C H 0.4879 -0.0358 0.9212 0.215 Uiso 0.431(9) 1 calc PR A 1
O2 O 0.7621(9) 0.2433(16) 0.8084(6) 0.198(6) Uani 0.569(9) 1 d PDU A 2
C34 C 0.6875(14) 0.472(2) 0.7500(9) 0.221(9) Uani 0.569(9) 1 d PDU A 2
H34A H 0.7030 0.4281 0.7246 0.331 Uiso 0.569(9) 1 calc PR A 2
H34B H 0.7257 0.5621 0.7708 0.331 Uiso 0.569(9) 1 calc PR A 2
H34C H 0.6254 0.5055 0.7270 0.331 Uiso 0.569(9) 1 calc PR A 2
C35 C 0.7011(8) 0.3447(17) 0.7938(5) 0.184(6) Uani 0.569(9) 1 d PDU A 2
C36 C 0.6448(8) 0.3387(18) 0.8189(5) 0.114(4) Uani 0.569(9) 1 d PDU A 2
H36A H 0.6627 0.2480 0.8446 0.171 Uiso 0.569(9) 1 calc PR A 2
H36B H 0.5819 0.3293 0.7875 0.171 Uiso 0.569(9) 1 calc PR A 2
H36C H 0.6541 0.4351 0.8406 0.171 Uiso 0.569(9) 1 calc PRU A 2
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_site_symmetry_1
_geom_angle_site_symmetry_3
C1 N1 C5 118.2(4) . .
C5 N2 C6 119.4(4) . .
C5 N2 C7 120.9(4) . .
C6 N2 C7 119.3(4) . .
C7 N3 C11 117.7(4) . .
C13 N4 C11 122.9(4) . .
C13 N4 C12 118.9(4) . .
C11 N4 C12 118.1(4) . .
C17 N5 C13 118.7(4) . .
C17 N6 C19 123.6(4) . .
C17 N6 C18 118.2(4) . .
C19 N6 C18 118.2(4) . .
C19 N7 C23 119.3(4) . .
C25 N8 C23 123.5(4) . .
C25 N8 C24 117.5(4) . .
C23 N8 C24 118.2(4) . .
C29 N9 C25 118.9(4) . .
C29 N10 C1 124.1(4) . 3_666
C29 N10 C30 117.8(5) . .
C1 N10 C30 117.9(5) 3_666 .
N1 C1 C2 123.4(4) . .
N1 C1 N10 113.7(4) . 3_666
C2 C1 N10 122.8(4) . 3_666
C1 C2 C3 118.3(5) . .
C1 C2 H2 120.9 . .
C3 C2 H2 120.9 . .
C4 C3 C2 119.5(5) . .
C4 C3 H3 120.3 . .
C2 C3 H3 120.3 . .
C3 C4 C5 118.8(5) . .
C3 C4 H4 120.6 . .
C5 C4 H4 120.6 . .
N1 C5 N2 114.8(4) . .
N1 C5 C4 121.9(4) . .
N2 C5 C4 123.1(4) . .
N2 C6 H6A 109.5 . .
N2 C6 H6B 109.5 . .
H6A C6 H6B 109.5 . .
N2 C6 H6C 109.5 . .
H6A C6 H6C 109.5 . .
H6B C6 H6C 109.5 . .
N3 C7 C8 123.1(4) . .
N3 C7 N2 114.9(4) . .
C8 C7 N2 122.0(4) . .
C7 C8 C9 118.1(4) . .
C7 C8 H8 121.0 . .
C9 C8 H8 121.0 . .
C10 C9 C8 120.2(5) . .
C10 C9 H9 119.9 . .
C8 C9 H9 119.9 . .
C9 C10 C11 118.2(4) . .
C9 C10 H10 120.9 . .
C11 C10 H10 120.9 . .
N3 C11 C10 122.8(4) . .
N3 C11 N4 115.0(4) . .
C10 C11 N4 122.1(4) . .
N4 C12 H12A 109.5 . .
N4 C12 H12B 109.5 . .
H12A C12 H12B 109.5 . .
N4 C12 H12C 109.5 . .
H12A C12 H12C 109.5 . .
H12B C12 H12C 109.5 . .
N5 C13 N4 114.8(4) . .
N5 C13 C14 121.2(4) . .
N4 C13 C14 123.8(4) . .
C15 C14 C13 117.6(5) . .
C15 C14 H14 121.2 . .
C13 C14 H14 121.2 . .
C14 C15 C16 121.6(5) . .
C14 C15 H15 119.2 . .
C16 C15 H15 119.2 . .
C17 C16 C15 118.1(5) . .
C17 C16 H16 121.0 . .
C15 C16 H16 121.0 . .
N5 C17 C16 122.7(4) . .
N5 C17 N6 115.6(4) . .
C16 C17 N6 121.8(4) . .
N6 C18 H18A 109.5 . .
N6 C18 H18B 109.5 . .
H18A C18 H18B 109.5 . .
N6 C18 H18C 109.5 . .
H18A C18 H18C 109.5 . .
H18B C18 H18C 109.5 . .
N7 C19 C20 122.7(5) . .
N7 C19 N6 114.9(4) . .
C20 C19 N6 122.3(4) . .
C21 C20 C19 116.8(5) . .
C21 C20 H20 121.6 . .
C19 C20 H20 121.6 . .
C22 C21 C20 121.1(5) . .
C22 C21 H21 119.5 . .
C20 C21 H21 119.5 . .
C23 C22 C21 117.8(5) . .
C23 C22 H22 121.1 . .
C21 C22 H22 121.1 . .
N7 C23 C22 122.2(4) . .
N7 C23 N8 114.2(4) . .
C22 C23 N8 123.6(5) . .
N8 C24 H24A 109.5 . .
N8 C24 H24B 109.5 . .
H24A C24 H24B 109.5 . .
N8 C24 H24C 109.5 . .
H24A C24 H24C 109.5 . .
H24B C24 H24C 109.5 . .
N9 C25 C26 122.5(5) . .
N9 C25 N8 116.4(4) . .
C26 C25 N8 121.0(4) . .
C27 C26 C25 117.7(5) . .
C27 C26 H26 121.1 . .
C25 C26 H26 121.1 . .
C26 C27 C28 120.9(5) . .
C26 C27 H27 119.5 . .
C28 C27 H27 119.5 . .
C29 C28 C27 118.1(5) . .
C29 C28 H28 121.0 . .
C27 C28 H28 121.0 . .
N9 C29 C28 122.0(5) . .
N9 C29 N10 116.5(4) . .
C28 C29 N10 121.6(5) . .
N10 C30 H30A 109.5 . .
N10 C30 H30B 109.5 . .
H30A C30 H30B 109.5 . .
N10 C30 H30C 109.5 . .
H30A C30 H30C 109.5 . .
H30B C30 H30C 109.5 . .
C32 C31 H31A 109.5 . .
C32 C31 H31B 109.5 . .
H31A C31 H31B 109.5 . .
C32 C31 H31C 109.5 . .
H31A C31 H31C 109.5 . .
H31B C31 H31C 109.5 . .
O1 C32 C31 119.3(12) . .
O1 C32 C33 120.9(13) . .
C31 C32 C33 119.8(16) . .
C32 C33 H33A 109.5 . .
C32 C33 H33B 109.5 . .
H33A C33 H33B 109.5 . .
C32 C33 H33C 109.5 . .
H33A C33 H33C 109.5 . .
H33B C33 H33C 109.5 . .
C35 C34 H34A 109.5 . .
C35 C34 H34B 109.5 . .
H34A C34 H34B 109.5 . .
C35 C34 H34C 109.5 . .
H34A C34 H34C 109.5 . .
H34B C34 H34C 109.5 . .
O2 C35 C36 121.0(12) . .
O2 C35 C34 116.4(11) . .
C36 C35 C34 122.7(14) . .
C35 C36 H36A 109.5 . .
C35 C36 H36B 109.5 . .
H36A C36 H36B 109.5 . .
C35 C36 H36C 109.5 . .
H36A C36 H36C 109.5 . .
H36B C36 H36C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
N1 C1 1.333(6) .
N1 C5 1.357(5) .
N2 C5 1.375(6) .
N2 C6 1.422(7) .
N2 C7 1.431(6) .
N3 C7 1.335(6) .
N3 C11 1.336(5) .
N4 C13 1.387(6) .
N4 C11 1.393(6) .
N4 C12 1.436(6) .
N5 C17 1.334(5) .
N5 C13 1.354(6) .
N6 C17 1.392(6) .
N6 C19 1.402(6) .
N6 C18 1.451(6) .
N7 C19 1.318(6) .
N7 C23 1.333(6) .
N8 C25 1.385(6) .
N8 C23 1.410(6) .
N8 C24 1.454(6) .
N9 C29 1.337(7) .
N9 C25 1.341(6) .
N10 C29 1.391(6) .
N10 C1 1.406(6) 3_666
N10 C30 1.458(8) .
C1 C2 1.355(7) .
C1 N10 1.406(6) 3_666
C2 C3 1.395(7) .
C2 H2 0.9300 .
C3 C4 1.372(7) .
C3 H3 0.9300 .
C4 C5 1.375(7) .
C4 H4 0.9300 .
C6 H6A 0.9600 .
C6 H6B 0.9600 .
C6 H6C 0.9600 .
C7 C8 1.367(7) .
C8 C9 1.375(7) .
C8 H8 0.9300 .
C9 C10 1.360(7) .
C9 H9 0.9300 .
C10 C11 1.379(6) .
C10 H10 0.9300 .
C12 H12A 0.9600 .
C12 H12B 0.9600 .
C12 H12C 0.9600 .
C13 C14 1.390(7) .
C14 C15 1.353(7) .
C14 H14 0.9300 .
C15 C16 1.371(8) .
C15 H15 0.9300 .
C16 C17 1.354(7) .
C16 H16 0.9300 .
C18 H18A 0.9600 .
C18 H18B 0.9600 .
C18 H18C 0.9600 .
C19 C20 1.383(6) .
C20 C21 1.376(7) .
C20 H20 0.9300 .
C21 C22 1.371(8) .
C21 H21 0.9300 .
C22 C23 1.368(6) .
C22 H22 0.9300 .
C24 H24A 0.9600 .
C24 H24B 0.9600 .
C24 H24C 0.9600 .
C25 C26 1.371(7) .
C26 C27 1.366(8) .
C26 H26 0.9300 .
C27 C28 1.376(7) .
C27 H27 0.9300 .
C28 C29 1.371(7) .
C28 H28 0.9300 .
C30 H30A 0.9600 .
C30 H30B 0.9600 .
C30 H30C 0.9600 .
O1 C32 1.251(10) .
C31 C32 1.495(10) .
C31 H31A 0.9600 .
C31 H31B 0.9600 .
C31 H31C 0.9600 .
C32 C33 1.501(10) .
C33 H33A 0.9600 .
C33 H33B 0.9600 .
C33 H33C 0.9600 .
O2 C35 1.256(9) .
C34 C35 1.523(10) .
C34 H34A 0.9600 .
C34 H34B 0.9600 .
C34 H34C 0.9600 .
C35 C36 1.516(9) .
C36 H36A 0.9600 .
C36 H36B 0.9600 .
C36 H36C 0.9600 .
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_4
C5 N1 C1 C2 -2.2(8) . .
C5 N1 C1 N10 175.6(4) . 3_666
N1 C1 C2 C3 2.3(9) . .
N10 C1 C2 C3 -175.3(6) 3_666 .
C1 C2 C3 C4 -1.1(9) . .
C2 C3 C4 C5 0.0(9) . .
C1 N1 C5 N2 176.6(4) . .
C1 N1 C5 C4 1.0(7) . .
C6 N2 C5 N1 -22.6(7) . .
C7 N2 C5 N1 165.1(4) . .
C6 N2 C5 C4 152.9(6) . .
C7 N2 C5 C4 -19.3(7) . .
C3 C4 C5 N1 0.1(8) . .
C3 C4 C5 N2 -175.2(5) . .
C11 N3 C7 C8 0.2(7) . .
C11 N3 C7 N2 177.9(4) . .
C5 N2 C7 N3 134.1(5) . .
C6 N2 C7 N3 -38.1(7) . .
C5 N2 C7 C8 -48.1(6) . .
C6 N2 C7 C8 139.6(6) . .
N3 C7 C8 C9 0.7(7) . .
N2 C7 C8 C9 -176.9(4) . .
C7 C8 C9 C10 -1.6(8) . .
C8 C9 C10 C11 1.7(8) . .
C7 N3 C11 C10 -0.1(6) . .
C7 N3 C11 N4 176.4(4) . .
C9 C10 C11 N3 -0.9(7) . .
C9 C10 C11 N4 -177.1(5) . .
C13 N4 C11 N3 150.7(4) . .
C12 N4 C11 N3 -33.1(7) . .
C13 N4 C11 C10 -32.8(7) . .
C12 N4 C11 C10 143.4(6) . .
C17 N5 C13 N4 176.5(4) . .
C17 N5 C13 C14 0.9(7) . .
C11 N4 C13 N5 152.1(4) . .
C12 N4 C13 N5 -24.1(7) . .
C11 N4 C13 C14 -32.4(7) . .
C12 N4 C13 C14 151.4(6) . .
N5 C13 C14 C15 -0.5(8) . .
N4 C13 C14 C15 -175.7(5) . .
C13 C14 C15 C16 -1.3(9) . .
C14 C15 C16 C17 2.6(9) . .
C13 N5 C17 C16 0.4(7) . .
C13 N5 C17 N6 179.0(4) . .
C15 C16 C17 N5 -2.1(8) . .
C15 C16 C17 N6 179.4(5) . .
C19 N6 C17 N5 -38.7(7) . .
C18 N6 C17 N5 144.1(5) . .
C19 N6 C17 C16 139.9(5) . .
C18 N6 C17 C16 -37.3(7) . .
C23 N7 C19 C20 -0.6(7) . .
C23 N7 C19 N6 176.4(4) . .
C17 N6 C19 N7 168.2(4) . .
C18 N6 C19 N7 -14.6(7) . .
C17 N6 C19 C20 -14.8(7) . .
C18 N6 C19 C20 162.4(5) . .
N7 C19 C20 C21 -0.2(7) . .
N6 C19 C20 C21 -176.9(4) . .
C19 C20 C21 C22 -0.1(8) . .
C20 C21 C22 C23 1.1(8) . .
C19 N7 C23 C22 1.6(7) . .
C19 N7 C23 N8 -176.4(4) . .
C21 C22 C23 N7 -1.9(8) . .
C21 C22 C23 N8 175.9(5) . .
C25 N8 C23 N7 -173.8(4) . .
C24 N8 C23 N7 16.9(6) . .
C25 N8 C23 C22 8.2(7) . .
C24 N8 C23 C22 -161.1(5) . .
C29 N9 C25 C26 1.6(8) . .
C29 N9 C25 N8 179.0(5) . .
C23 N8 C25 N9 42.7(7) . .
C24 N8 C25 N9 -148.0(5) . .
C23 N8 C25 C26 -139.9(5) . .
C24 N8 C25 C26 29.4(7) . .
N9 C25 C26 C27 -1.1(8) . .
N8 C25 C26 C27 -178.3(5) . .
C25 C26 C27 C28 0.8(8) . .
C26 C27 C28 C29 -1.0(9) . .
C25 N9 C29 C28 -1.9(8) . .
C25 N9 C29 N10 177.5(5) . .
C27 C28 C29 N9 1.6(9) . .
C27 C28 C29 N10 -177.8(5) . .
C1 N10 C29 N9 29.6(8) 3_666 .
C30 N10 C29 N9 -155.2(7) . .
C1 N10 C29 C28 -151.0(6) 3_666 .
C30 N10 C29 C28 24.2(10) . .
