#------------------------------------------------------------------------------
#$Date: 2016-03-26 00:23:38 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180076 $
#$URL: svn://www.crystallography.net/cod/cif/7/05/22/7052282.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_7052282
loop_
_publ_author_name
'Stéphane A. Baudron'
'Mir Wais Hosseini'
'Nathalie Kyritsakas'
_publ_section_title
;
 Octanuclear Cu(<small>I</small>) cubic complex decorated with six
 peripheral chelates
;
_journal_issue                   7
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              1083
_journal_paper_doi               10.1039/b603733j
_journal_volume                  30
_journal_year                    2006
_chemical_formula_moiety         '2(C16 H36 N), C24 H12 Cu N4 S4, 2(C2 H3 N)'
_chemical_formula_sum            'C60 H90 Cu N8 S4'
_chemical_formula_weight         1115.18
_chemical_name_systematic
;
?
;
_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                 101.396(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   18.6672(7)
_cell_length_b                   8.7381(3)
_cell_length_c                   18.9133(7)
_cell_measurement_reflns_used    4957
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      24.72
_cell_measurement_theta_min      2.20
_cell_volume                     3024.24(19)
_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  'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0635
_diffrn_reflns_av_sigmaI/netI    0.0658
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            29283
_diffrn_reflns_theta_full        27.45
_diffrn_reflns_theta_max         27.45
_diffrn_reflns_theta_min         2.20
_exptl_absorpt_coefficient_mu    0.543
_exptl_absorpt_correction_T_max  0.9681
_exptl_absorpt_correction_T_min  0.8899
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.225
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    .
_exptl_crystal_description       platelet
_exptl_crystal_F_000             1198
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.06
_refine_diff_density_max         1.498
_refine_diff_density_min         -1.318
_refine_diff_density_rms         0.084
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.044
_refine_ls_hydrogen_treatment    riding
_refine_ls_matrix_type           full
_refine_ls_number_parameters     320
_refine_ls_number_reflns         6879
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.044
_refine_ls_R_factor_all          0.1040
_refine_ls_R_factor_gt           0.0584
_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)+(0.0875P)²+1.9170P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1500
_refine_ls_wR_factor_ref         0.1727
_reflns_number_gt                4429
_reflns_number_total             6879
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b603733j.txt
_cod_data_source_block           e411a
_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.

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               7052282
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
Cu1 Cu 0.0000 0.0000 0.0000 0.02812(17) Uani 1 2 d S . .
S1 S 0.12282(5) -0.05495(11) 0.01771(4) 0.0322(2) Uani 1 1 d . . .
S2 S 0.02548(5) -0.10960(10) 0.11330(4) 0.0320(2) Uani 1 1 d . . .
N1 N 0.36353(16) -0.2882(4) 0.22271(17) 0.0425(8) Uani 1 1 d . . .
N2 N 0.25928(18) -0.3654(4) 0.32260(15) 0.0409(8) Uani 1 1 d . . .
C1 C 0.11611(17) -0.1256(3) 0.10276(16) 0.0245(6) Uani 1 1 d . . .
C2 C 0.17310(17) -0.1864(4) 0.15234(16) 0.0240(7) Uani 1 1 d . . .
C3 C 0.24993(17) -0.1956(4) 0.14584(16) 0.0268(7) Uani 1 1 d . . .
C4 C 0.28790(18) -0.1543(4) 0.09208(18) 0.0322(7) Uani 1 1 d . . .
H4 H 0.2640 -0.1096 0.0493 0.039 Uiso 1 1 calc R . .
C5 C 0.3629(2) -0.1823(4) 0.1049(2) 0.0405(9) Uani 1 1 d . . .
H5 H 0.3899 -0.1574 0.0701 0.049 Uiso 1 1 calc R . .
C6 C 0.3971(2) -0.2471(5) 0.1694(2) 0.0457(10) Uani 1 1 d . . .
H6 H 0.4472 -0.2635 0.1762 0.055 Uiso 1 1 calc R . .
C7 C 0.29141(18) -0.2619(4) 0.20960(18) 0.0305(7) Uani 1 1 d . . .
C8 C 0.16978(18) -0.2541(4) 0.22300(16) 0.0258(7) Uani 1 1 d . . .
C9 C 0.1131(2) -0.2845(4) 0.25923(17) 0.0321(8) Uani 1 1 d . . .
H9 H 0.0651 -0.2592 0.2390 0.039 Uiso 1 1 calc R . .
C10 C 0.1309(2) -0.3539(4) 0.32641(18) 0.0404(9) Uani 1 1 d . . .
H10 H 0.0945 -0.3758 0.3521 0.049 Uiso 1 1 calc R . .
C11 C 0.2036(2) -0.3907(4) 0.35530(19) 0.0437(10) Uani 1 1 d . . .
H11 H 0.2137 -0.4362 0.4006 0.052 Uiso 1 1 calc R . .
C12 C 0.24149(19) -0.2991(4) 0.25765(17) 0.0315(8) Uani 1 1 d . . .
N3 N 0.22796(15) 0.4059(3) 0.97935(14) 0.0273(6) Uani 1 1 d . . .
C13 C 0.2790(2) 0.5292(4) 0.9606(2) 0.0363(8) Uani 1 1 d . . .
H13A H 0.2497 0.6053 0.9306 0.044 Uiso 1 1 calc R . .
H13B H 0.3023 0.5795 1.0049 0.044 Uiso 1 1 calc R . .
C14 C 0.3382(2) 0.4743(5) 0.9220(3) 0.0511(11) Uani 1 1 d . . .
H14A H 0.3598 0.3812 0.9447 0.061 Uiso 1 1 calc R . .
H14B H 0.3166 0.4508 0.8722 0.061 Uiso 1 1 calc R . .
C15 C 0.3969(2) 0.5935(5) 0.9240(3) 0.0544(11) Uani 1 1 d . . .
H15A H 0.4177 0.6178 0.9739 0.065 Uiso 1 1 calc R . .
H15B H 0.3750 0.6862 0.9011 0.065 Uiso 1 1 calc R . .
C16 C 0.4576(3) 0.5424(6) 0.8866(3) 0.0706(15) Uani 1 1 d . . .
H16A H 0.4934 0.6223 0.8895 0.106 Uiso 1 1 calc R . .
H16B H 0.4376 0.5204 0.8369 0.106 Uiso 1 1 calc R . .
H16C H 0.4804 0.4520 0.9098 0.106 Uiso 1 1 calc R . .
C17 C 0.27067(18) 0.2917(4) 1.03241(17) 0.0298(7) Uani 1 1 d . . .
H17A H 0.2373 0.2118 1.0410 0.036 Uiso 1 1 calc R . .
H17B H 0.3074 0.2442 1.0097 0.036 Uiso 1 1 calc R . .
C18 C 0.3085(2) 0.3554(4) 1.1048(2) 0.0406(9) Uani 1 1 d . . .
H18A H 0.2727 0.4028 1.1286 0.049 Uiso 1 1 calc R . .
H18B H 0.3434 0.4331 1.0975 0.049 Uiso 1 1 calc R . .
C19 C 0.3476(2) 0.2285(5) 1.1519(2) 0.0444(9) Uani 1 1 d . . .
H19A H 0.3817 0.1787 1.1267 0.053 Uiso 1 1 calc R . .
H19B H 0.3121 0.1527 1.1599 0.053 Uiso 1 1 calc R . .
C20 C 0.3889(3) 0.2859(6) 1.2243(2) 0.0623(13) Uani 1 1 d . . .
H20A H 0.4126 0.2014 1.2518 0.093 Uiso 1 1 calc R . .
H20B H 0.3553 0.3331 1.2500 0.093 Uiso 1 1 calc R . .
H20C H 0.4249 0.3594 1.2168 0.093 Uiso 1 1 calc R . .
C21 C 0.17062(18) 0.4885(4) 1.01253(18) 0.0292(7) Uani 1 1 d . . .
H21A H 0.1460 0.5631 0.9781 0.035 Uiso 1 1 calc R . .
H21B H 0.1952 0.5439 1.0549 0.035 Uiso 1 1 calc R . .
C22 C 0.11324(18) 0.3838(4) 1.03430(18) 0.0303(7) Uani 1 1 d . . .
H22A H 0.0777 0.3550 0.9917 0.036 Uiso 1 1 calc R . .
H22B H 0.1366 0.2913 1.0559 0.036 Uiso 1 1 calc R . .
C23 C 0.07445(19) 0.4627(4) 1.08759(19) 0.0333(8) Uani 1 1 d . . .
H23A H 0.0502 0.5539 1.0655 0.040 Uiso 1 1 calc R . .
H23B H 0.1101 0.4938 1.1296 0.040 Uiso 1 1 calc R . .
C24 C 0.01808(19) 0.3572(4) 1.1111(2) 0.0388(8) Uani 1 1 d . . .
H24A H -0.0056 0.4103 1.1446 0.058 Uiso 1 1 calc R . .
H24B H 0.0422 0.2677 1.1339 0.058 Uiso 1 1 calc R . .
H24C H -0.0177 0.3273 1.0697 0.058 Uiso 1 1 calc R . .
C25 C 0.19295(19) 0.3153(4) 0.91317(17) 0.0326(8) Uani 1 1 d . . .
H25A H 0.1628 0.2357 0.9279 0.039 Uiso 1 1 calc R . .
H25B H 0.2313 0.2655 0.8937 0.039 Uiso 1 1 calc R . .
C26 C 0.1460(2) 0.4090(5) 0.8534(2) 0.0489(11) Uani 1 1 d . . .
H26A H 0.1731 0.4990 0.8438 0.059 Uiso 1 1 calc R . .
H26B H 0.1024 0.4432 0.8693 0.059 Uiso 1 1 calc R . .
C27 C 0.1240(2) 0.3169(5) 0.7839(2) 0.0483(10) Uani 1 1 d . . .
H27A H 0.1032 0.2202 0.7950 0.058 Uiso 1 1 calc R . .
H27B H 0.0865 0.3725 0.7511 0.058 Uiso 1 1 calc R . .
C28 C 0.1877(2) 0.2853(6) 0.7466(2) 0.0579(12) Uani 1 1 d . . .
H28A H 0.1707 0.2269 0.7035 0.087 Uiso 1 1 calc R . .
H28B H 0.2247 0.2285 0.7784 0.087 Uiso 1 1 calc R . .
H28C H 0.2077 0.3805 0.7342 0.087 Uiso 1 1 calc R . .
C29 C 0.4561(4) 0.5356(7) 0.3713(3) 0.0923(11) Uani 1 1 d . . .
H29A H 0.4906 0.6124 0.3923 0.138 Uiso 1 1 calc R . .
H29B H 0.4154 0.5834 0.3402 0.138 Uiso 1 1 calc R . .
H29C H 0.4793 0.4654 0.3438 0.138 Uiso 1 1 calc R . .
C30 C 0.4311(4) 0.4550(8) 0.4268(3) 0.0923(11) Uani 1 1 d . . .
N4 N 0.4121(3) 0.3916(6) 0.4716(3) 0.0923(11) 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'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 '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
S1 Cu1 S1 180.00(5) 3 . ?
S1 Cu1 S2 103.78(3) 3 . ?
S1 Cu1 S2 76.22(3) . . ?
S1 Cu1 S2 76.22(3) 3 3 ?
S1 Cu1 S2 103.78(3) . 3 ?
S2 Cu1 S2 180.00(4) . 3 ?
C1 S1 Cu1 87.55(11) . . ?
C1 S2 Cu1 87.35(11) . . ?
C6 N1 C7 114.7(3) . . ?
C11 N2 C12 115.1(3) . . ?
C2 C1 S2 126.0(2) . . ?
C2 C1 S1 125.1(2) . . ?
S2 C1 S1 108.86(17) . . ?
C1 C2 C3 126.9(3) . . ?
C1 C2 C8 127.4(3) . . ?
C3 C2 C8 105.7(3) . . ?
C4 C3 C7 117.0(3) . . ?
C4 C3 C2 133.8(3) . . ?
C7 C3 C2 109.2(3) . . ?
C5 C4 C3 117.7(3) . . ?
C5 C4 H4 121.2 . . ?
C3 C4 H4 121.2 . . ?
C6 C5 C4 119.8(4) . . ?
C6 C5 H5 120.1 . . ?
C4 C5 H5 120.1 . . ?
N1 C6 C5 124.9(3) . . ?
N1 C6 H6 117.5 . . ?
C5 C6 H6 117.5 . . ?
N1 C7 C3 125.9(3) . . ?
N1 C7 C12 126.0(3) . . ?
C3 C7 C12 108.1(3) . . ?
C9 C8 C12 117.1(3) . . ?
C9 C8 C2 133.9(3) . . ?
C12 C8 C2 108.9(3) . . ?
C10 C9 C8 117.8(3) . . ?
C10 C9 H9 121.1 . . ?
C8 C9 H9 121.1 . . ?
C9 C10 C11 119.8(3) . . ?
C9 C10 H10 120.1 . . ?
C11 C10 H10 120.1 . . ?
N2 C11 C10 124.6(3) . . ?
N2 C11 H11 117.7 . . ?
C10 C11 H11 117.7 . . ?
N2 C12 C8 125.6(3) . . ?
N2 C12 C7 126.4(3) . . ?
C8 C12 C7 108.0(3) . . ?
C25 N3 C17 106.6(2) . . ?
C25 N3 C21 111.3(3) . . ?
C17 N3 C21 110.9(2) . . ?
C25 N3 C13 111.4(3) . . ?
C17 N3 C13 110.2(3) . . ?
C21 N3 C13 106.5(2) . . ?
C14 C13 N3 115.9(3) . . ?
C14 C13 H13A 108.3 . . ?
N3 C13 H13A 108.3 . . ?
C14 C13 H13B 108.3 . . ?
N3 C13 H13B 108.3 . . ?
H13A C13 H13B 107.4 . . ?
C15 C14 C13 111.4(3) . . ?
C15 C14 H14A 109.4 . . ?
C13 C14 H14A 109.4 . . ?
C15 C14 H14B 109.4 . . ?
C13 C14 H14B 109.4 . . ?
H14A C14 H14B 108.0 . . ?
C14 C15 C16 113.0(4) . . ?
C14 C15 H15A 109.0 . . ?
C16 C15 H15A 109.0 . . ?
C14 C15 H15B 109.0 . . ?
C16 C15 H15B 109.0 . . ?
H15A C15 H15B 107.8 . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C18 C17 N3 116.3(3) . . ?
C18 C17 H17A 108.2 . . ?
N3 C17 H17A 108.2 . . ?
C18 C17 H17B 108.2 . . ?
N3 C17 H17B 108.2 . . ?
H17A C17 H17B 107.4 . . ?
C17 C18 C19 110.3(3) . . ?
C17 C18 H18A 109.6 . . ?
C19 C18 H18A 109.6 . . ?
C17 C18 H18B 109.6 . . ?
C19 C18 H18B 109.6 . . ?
H18A C18 H18B 108.1 . . ?
C18 C19 C20 112.8(3) . . ?
C18 C19 H19A 109.0 . . ?
C20 C19 H19A 109.0 . . ?
C18 C19 H19B 109.0 . . ?
C20 C19 H19B 109.0 . . ?
H19A C19 H19B 107.8 . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
N3 C21 C22 114.5(3) . . ?
N3 C21 H21A 108.6 . . ?
C22 C21 H21A 108.6 . . ?
N3 C21 H21B 108.6 . . ?
C22 C21 H21B 108.6 . . ?
H21A C21 H21B 107.6 . . ?
C23 C22 C21 111.1(3) . . ?
C23 C22 H22A 109.4 . . ?
C21 C22 H22A 109.4 . . ?
C23 C22 H22B 109.4 . . ?
C21 C22 H22B 109.4 . . ?
H22A C22 H22B 108.0 . . ?
C22 C23 C24 111.5(3) . . ?
C22 C23 H23A 109.3 . . ?
C24 C23 H23A 109.3 . . ?
C22 C23 H23B 109.3 . . ?
C24 C23 H23B 109.3 . . ?
H23A C23 H23B 108.0 . . ?
C23 C24 H24A 109.5 . . ?
C23 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C23 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
N3 C25 C26 115.0(3) . . ?
N3 C25 H25A 108.5 . . ?
C26 C25 H25A 108.5 . . ?
N3 C25 H25B 108.5 . . ?
C26 C25 H25B 108.5 . . ?
H25A C25 H25B 107.5 . . ?
C25 C26 C27 111.9(3) . . ?
C25 C26 H26A 109.2 . . ?
C27 C26 H26A 109.2 . . ?
C25 C26 H26B 109.2 . . ?
C27 C26 H26B 109.2 . . ?
H26A C26 H26B 107.9 . . ?
C28 C27 C26 113.1(4) . . ?
C28 C27 H27A 109.0 . . ?
C26 C27 H27A 109.0 . . ?
C28 C27 H27B 109.0 . . ?
C26 C27 H27B 109.0 . . ?
H27A C27 H27B 107.8 . . ?
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 . . ?
C30 C29 H29A 109.5 . . ?
C30 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C30 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
N4 C30 C29 179.0(7) . . ?
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
Cu1 S1 2.3012(9) 3 ?
Cu1 S1 2.3012(9) . ?
Cu1 S2 2.3092(8) . ?
Cu1 S2 2.3092(8) 3 ?
S1 C1 1.750(3) . ?
S2 C1 1.748(3) . ?
N1 C6 1.338(5) . ?
N1 C7 1.340(4) . ?
N2 C11 1.329(5) . ?
N2 C12 1.339(4) . ?
C1 C2 1.378(4) . ?
C2 C3 1.466(4) . ?
C2 C8 1.474(4) . ?
C3 C4 1.397(5) . ?
C3 C7 1.421(4) . ?
C4 C5 1.395(5) . ?
C4 H4 0.9300 . ?
C5 C6 1.381(6) . ?
C5 H5 0.9300 . ?
C6 H6 0.9300 . ?
C7 C12 1.461(5) . ?
C8 C9 1.394(5) . ?
C8 C12 1.424(5) . ?
C9 C10 1.387(5) . ?
C9 H9 0.9300 . ?
C10 C11 1.396(6) . ?
C10 H10 0.9300 . ?
C11 H11 0.9300 . ?
N3 C25 1.516(4) . ?
N3 C17 1.524(4) . ?
N3 C21 1.525(4) . ?
N3 C13 1.525(4) . ?
C13 C14 1.517(5) . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
C14 C15 1.507(6) . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C15 C16 1.518(6) . ?
C15 H15A 0.9700 . ?
C15 H15B 0.9700 . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C17 C18 1.516(5) . ?
C17 H17A 0.9700 . ?
C17 H17B 0.9700 . ?
C18 C19 1.516(5) . ?
C18 H18A 0.9700 . ?
C18 H18B 0.9700 . ?
C19 C20 1.518(5) . ?
C19 H19A 0.9700 . ?
C19 H19B 0.9700 . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C21 C22 1.526(5) . ?
C21 H21A 0.9700 . ?
C21 H21B 0.9700 . ?
C22 C23 1.518(4) . ?
C22 H22A 0.9700 . ?
C22 H22B 0.9700 . ?
C23 C24 1.530(5) . ?
C23 H23A 0.9700 . ?
C23 H23B 0.9700 . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?
C25 C26 1.525(5) . ?
C25 H25A 0.9700 . ?
C25 H25B 0.9700 . ?
C26 C27 1.526(5) . ?
C26 H26A 0.9700 . ?
C26 H26B 0.9700 . ?
C27 C28 1.523(6) . ?
C27 H27A 0.9700 . ?
C27 H27B 0.9700 . ?
C28 H28A 0.9600 . ?
C28 H28B 0.9600 . ?
C28 H28C 0.9600 . ?
C29 C30 1.418(7) . ?
C29 H29A 0.9600 . ?
C29 H29B 0.9600 . ?
C29 H29C 0.9600 . ?
C30 N4 1.126(7) . ?
