#------------------------------------------------------------------------------
#$Date: 2016-03-23 00:30:40 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179114 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/76/4307675.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_4307675
loop_
_publ_author_name
'Shaun P. Green'
'Cameron Jones'
'Guoxia Jin'
'Andreas Stasch'
_publ_section_title
;
Base-Stabilized Amidodiarsenes: Synthesis, Structure, and Theoretical
Studies
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              8
_journal_page_last               10
_journal_paper_doi               10.1021/ic062163f
_journal_volume                  46
_journal_year                    2007
_chemical_formula_sum            'C51 H72 As Cl2 N3'
_chemical_formula_weight         872.94
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_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                 99.99(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.634(3)
_cell_length_b                   10.535(2)
_cell_length_c                   36.397(7)
_cell_measurement_temperature    150(2)
_cell_volume                     4771.0(18)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.955
_diffrn_measured_fraction_theta_max 0.955
_diffrn_measurement_device_type  'Nonius Kappa CCD'
_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  0.0831
_diffrn_reflns_av_sigmaI/netI    0.0625
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       43
_diffrn_reflns_limit_l_min       -43
_diffrn_reflns_number            20883
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.98
_exptl_absorpt_coefficient_mu    0.861
_exptl_absorpt_correction_T_max  0.813
_exptl_absorpt_correction_T_min  0.752
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Sortav (Blessing, 1995)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.215
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1864
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.25
_refine_diff_density_max         0.655
_refine_diff_density_min         -0.514
_refine_diff_density_rms         0.061
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.035
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     524
_refine_ls_number_reflns         8035
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.035
_refine_ls_R_factor_all          0.0537
_refine_ls_R_factor_gt           0.0460
_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)+(0.0534P)²+3.2418P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1142
_refine_ls_wR_factor_ref         0.1192
_reflns_number_gt                7042
_reflns_number_total             8035
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic062163fsi20061114_083046.cif
_cod_data_source_block           compound2a
_cod_original_cell_volume        4771.0(16)
_cod_database_code               4307675
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
_atom_site_disorder_assembly
_atom_site_disorder_group
As1 As 0.32663(2) 0.49032(2) 0.108752(7) 0.02805(10) Uani 1 1 d . . .
Cl1 Cl 0.48752(5) 0.55275(7) 0.10078(2) 0.04251(19) Uani 1 1 d . . .
N1 N 0.29665(16) 0.35195(19) 0.07442(5) 0.0257(4) Uani 1 1 d . . .
C1 C 0.34029(18) 0.2559(2) 0.09888(6) 0.0241(5) Uani 1 1 d . . .
Cl2 Cl 0.24499(5) 0.64115(6) 0.063025(19) 0.03796(17) Uani 1 1 d . . .
N2 N 0.38740(16) 0.31675(19) 0.12965(5) 0.0257(4) Uani 1 1 d . . .
C2 C 0.20646(19) 0.3482(2) 0.04409(6) 0.0244(5) Uani 1 1 d . . .
N3 N 0.33382(16) 0.12913(19) 0.09248(5) 0.0263(4) Uani 1 1 d . . .
C3 C 0.10207(19) 0.3218(2) 0.05067(7) 0.0277(5) Uani 1 1 d . . .
C4 C 0.0184(2) 0.3195(3) 0.02022(8) 0.0354(6) Uani 1 1 d . . .
H4 H -0.0527 0.3023 0.0240 0.042 Uiso 1 1 calc R . .
C5 C 0.0378(2) 0.3420(3) -0.01563(8) 0.0380(6) Uani 1 1 d . . .
H5 H -0.0194 0.3366 -0.0363 0.046 Uiso 1 1 calc R . .
C6 C 0.1399(2) 0.3720(3) -0.02123(7) 0.0357(6) Uani 1 1 d . . .
H6 H 0.1516 0.3885 -0.0459 0.043 Uiso 1 1 calc R . .
C7 C 0.2264(2) 0.3790(2) 0.00810(7) 0.0298(5) Uani 1 1 d . . .
C8 C 0.0767(2) 0.3043(2) 0.08987(7) 0.0318(6) Uani 1 1 d . . .
H8 H 0.1434 0.2737 0.1064 0.038 Uiso 1 1 calc R . .
C9 C -0.0128(2) 0.2076(3) 0.09202(9) 0.0446(7) Uani 1 1 d . . .
H9A H -0.0822 0.2438 0.0807 0.067 Uiso 1 1 calc R . .
H9B H -0.0138 0.1866 0.1182 0.067 Uiso 1 1 calc R . .
H9C H 0.0007 0.1303 0.0785 0.067 Uiso 1 1 calc R . .
C10 C 0.0453(2) 0.4313(3) 0.10531(8) 0.0432(7) Uani 1 1 d . . .
H10A H 0.1009 0.4946 0.1034 0.065 Uiso 1 1 calc R . .
H10B H 0.0382 0.4210 0.1315 0.065 Uiso 1 1 calc R . .
H10C H -0.0234 0.4598 0.0909 0.065 Uiso 1 1 calc R . .
C11 C 0.3355(2) 0.4213(3) 0.00073(7) 0.0365(6) Uani 1 1 d . . .
H11 H 0.3787 0.4498 0.0250 0.044 Uiso 1 1 calc R . .
C12 C 0.3974(3) 0.3143(3) -0.01446(10) 0.0552(9) Uani 1 1 d . . .
H12A H 0.4155 0.2488 0.0047 0.083 Uiso 1 1 calc R . .
H12B H 0.4635 0.3484 -0.0213 0.083 Uiso 1 1 calc R . .
H12C H 0.3527 0.2772 -0.0365 0.083 Uiso 1 1 calc R . .
C13 C 0.3255(3) 0.5348(3) -0.02647(10) 0.0567(9) Uani 1 1 d . . .
H13A H 0.2912 0.5067 -0.0514 0.085 Uiso 1 1 calc R . .
H13B H 0.3972 0.5683 -0.0276 0.085 Uiso 1 1 calc R . .
H13C H 0.2818 0.6013 -0.0177 0.085 Uiso 1 1 calc R . .
C14 C 0.46106(19) 0.2785(2) 0.16183(6) 0.0251(5) Uani 1 1 d . . .
C15 C 0.4255(2) 0.2821(2) 0.19651(7) 0.0289(5) Uani 1 1 d . . .
C16 C 0.4948(2) 0.2392(3) 0.22780(7) 0.0368(6) Uani 1 1 d . . .
H16 H 0.4717 0.2385 0.2513 0.044 Uiso 1 1 calc R . .
C17 C 0.5969(2) 0.1975(3) 0.22532(8) 0.0409(7) Uani 1 1 d . . .
H17 H 0.6424 0.1659 0.2469 0.049 Uiso 1 1 calc R . .
C18 C 0.6333(2) 0.2014(3) 0.19173(7) 0.0364(6) Uani 1 1 d . . .
H18 H 0.7045 0.1746 0.1907 0.044 Uiso 1 1 calc R . .
C19 C 0.5674(2) 0.2440(2) 0.15937(7) 0.0299(5) Uani 1 1 d . . .
C20 C 0.3167(2) 0.3387(3) 0.20012(7) 0.0328(6) Uani 1 1 d . . .
H20 H 0.2687 0.3309 0.1753 0.039 Uiso 1 1 calc R . .
C21 C 0.2609(3) 0.2718(3) 0.22905(9) 0.0480(7) Uani 1 1 d . . .
H21A H 0.2527 0.1813 0.2229 0.072 Uiso 1 1 calc R . .
H21B H 0.1899 0.3097 0.2288 0.072 Uiso 1 1 calc R . .
H21C H 0.3045 0.2817 0.2539 0.072 Uiso 1 1 calc R . .
C22 C 0.3289(3) 0.4804(3) 0.20956(9) 0.0442(7) Uani 1 1 d . . .
H22A H 0.3734 0.4908 0.2343 0.066 Uiso 1 1 calc R . .
H22B H 0.2579 0.5177 0.2096 0.066 Uiso 1 1 calc R . .
H22C H 0.3634 0.5233 0.1909 0.066 Uiso 1 1 calc R . .
C23 C 0.6145(2) 0.2548(3) 0.12380(8) 0.0405(7) Uani 1 1 d . . .
H23 H 0.5574 0.2880 0.1036 0.049 Uiso 1 1 calc R . .
C24 C 0.7093(2) 0.3501(4) 0.12950(9) 0.0546(9) Uani 1 1 d . . .
H24A H 0.6839 0.4332 0.1364 0.082 Uiso 1 1 calc R . .
H24B H 0.7381 0.3580 0.1063 0.082 Uiso 1 1 calc R . .
H24C H 0.7659 0.3195 0.1494 0.082 Uiso 1 1 calc R . .
C25 C 0.6527(3) 0.1277(4) 0.11132(9) 0.0579(9) Uani 1 1 d . . .
H25A H 0.7122 0.0965 0.1300 0.087 Uiso 1 1 calc R . .
H25B H 0.6771 0.1381 0.0874 0.087 Uiso 1 1 calc R . .
H25C H 0.5933 0.0666 0.1085 0.087 Uiso 1 1 calc R . .
C26 C 0.2980(2) 0.0797(2) 0.05363(6) 0.0266(5) Uani 1 1 d . . .
H26 H 0.2846 0.1562 0.0372 0.032 Uiso 1 1 calc R . .
C27 C 0.3833(2) 0.0015(3) 0.03858(7) 0.0343(6) Uani 1 1 d . . .
H27A H 0.3963 -0.0788 0.0528 0.041 Uiso 1 1 calc R . .
H27B H 0.4516 0.0495 0.0418 0.041 Uiso 1 1 calc R . .
C28 C 0.3454(2) -0.0283(3) -0.00302(7) 0.0381(6) Uani 1 1 d . . .
H28A H 0.3395 0.0517 -0.0175 0.046 Uiso 1 1 calc R . .
H28B H 0.3991 -0.0830 -0.0121 0.046 Uiso 1 1 calc R . .
C29 C 0.2373(2) -0.0950(3) -0.00920(7) 0.0362(6) Uani 1 1 d . . .
H29A H 0.2455 -0.1799 0.0026 0.043 Uiso 1 1 calc R . .
H29B H 0.2123 -0.1070 -0.0363 0.043 Uiso 1 1 calc R . .
C30 C 0.1536(2) -0.0198(3) 0.00700(8) 0.0365(6) Uani 1 1 d . . .
H30A H 0.0856 -0.0685 0.0038 0.044 Uiso 1 1 calc R . .
H30B H 0.1394 0.0613 -0.0067 0.044 Uiso 1 1 calc R . .
C31 C 0.1920(2) 0.0075(2) 0.04856(7) 0.0306(6) Uani 1 1 d . . .
H31A H 0.1374 0.0586 0.0584 0.037 Uiso 1 1 calc R . .
H31B H 0.2018 -0.0733 0.0626 0.037 Uiso 1 1 calc R . .
C32 C 0.3499(2) 0.0432(2) 0.12606(7) 0.0338(6) Uani 1 1 d . . .
H32 H 0.4028 0.0876 0.1454 0.041 Uiso 1 1 calc R . .
C33 C 0.2479(2) 0.0302(3) 0.14265(8) 0.0382(6) Uani 1 1 d . . .
H33A H 0.1922 -0.0137 0.1246 0.046 Uiso 1 1 calc R . .
H33B H 0.2204 0.1157 0.1473 0.046 Uiso 1 1 calc R . .
C34 C 0.2695(3) -0.0451(3) 0.17942(8) 0.0502(8) Uani 1 1 d . . .
H34A H 0.3162 0.0057 0.1986 0.060 Uiso 1 1 calc R . .
H34B H 0.2006 -0.0598 0.1882 0.060 Uiso 1 1 calc R . .
C35 C 0.3229(3) -0.1718(3) 0.17502(9) 0.0483(8) Uani 1 1 d . . .
H35A H 0.3420 -0.2130 0.1997 0.058 Uiso 1 1 calc R . .
H35B H 0.2718 -0.2280 0.1589 0.058 Uiso 1 1 calc R . .
C36 C 0.4230(2) -0.1553(3) 0.15810(8) 0.0424(7) Uani 1 1 d . . .
H36A H 0.4540 -0.2397 0.1545 0.051 Uiso 1 1 calc R . .
H36B H 0.4768 -0.1064 0.1755 0.051 Uiso 1 1 calc R . .
C37 C 0.3993(2) -0.0861(3) 0.12064(7) 0.0356(6) Uani 1 1 d . . .
H37A H 0.4667 -0.0750 0.1106 0.043 Uiso 1 1 calc R . .
H37B H 0.3489 -0.1370 0.1026 0.043 Uiso 1 1 calc R . .
C38 C 0.5644(3) 0.7577(4) 0.27052(11) 0.0634(10) Uani 1 1 d . . .
C39 C 0.5447(3) 0.6932(4) 0.30188(10) 0.0656(10) Uani 1 1 d . . .
H39 H 0.5165 0.7386 0.3206 0.079 Uiso 1 1 calc R . .
C40 C 0.5644(3) 0.5673(4) 0.30668(11) 0.0665(10) Uani 1 1 d . . .
H40 H 0.5510 0.5256 0.3286 0.080 Uiso 1 1 calc R . .
C41 C 0.6034(3) 0.5013(4) 0.28002(12) 0.0682(11) Uani 1 1 d . . .
H41 H 0.6179 0.4132 0.2834 0.082 Uiso 1 1 calc R . .
C42 C 0.6225(3) 0.5618(5) 0.24763(11) 0.0705(11) Uani 1 1 d . . .
H42 H 0.6493 0.5150 0.2289 0.085 Uiso 1 1 calc R . .
C43 C 0.6024(3) 0.6885(5) 0.24309(10) 0.0707(12) Uani 1 1 d . . .
H43 H 0.6146 0.7298 0.2210 0.085 Uiso 1 1 calc R . .
C44 C 0.5483(5) 0.8944(5) 0.26665(16) 0.1089(18) Uani 1 1 d . . .
H44A H 0.4766 0.9114 0.2523 0.163 Uiso 1 1 calc R . .
H44B H 0.6028 0.9306 0.2536 0.163 Uiso 1 1 calc R . .
H44C H 0.5546 0.9330 0.2914 0.163 Uiso 1 1 calc R . .
C45 C -0.1834(3) 0.7781(4) 0.13538(12) 0.0645(10) Uani 1 1 d . . .
C46 C -0.1020(4) 0.7132(4) 0.15835(11) 0.0712(11) Uani 1 1 d . . .
H46 H -0.1177 0.6684 0.1794 0.085 Uiso 1 1 calc R . .
C47 C 0.0010(4) 0.7129(4) 0.15097(12) 0.0749(11) Uani 1 1 d . . .
H47 H 0.0564 0.6697 0.1672 0.090 Uiso 1 1 calc R . .
C48 C 0.0240(4) 0.7746(4) 0.12026(13) 0.0747(12) Uani 1 1 d . . .
H48 H 0.0949 0.7718 0.1149 0.090 Uiso 1 1 calc R . .
C49 C -0.0540(4) 0.8399(4) 0.09739(12) 0.0685(11) Uani 1 1 d . . .
H49 H -0.0373 0.8837 0.0763 0.082 Uiso 1 1 calc R . .
C50 C -0.1567(3) 0.8422(4) 0.10489(11) 0.0656(10) Uani 1 1 d . . .
H50 H -0.2107 0.8886 0.0889 0.079 Uiso 1 1 calc R . .
C51 C -0.2951(4) 0.7803(6) 0.14295(19) 0.118(2) Uani 1 1 d . . .
H51A H -0.3033 0.8513 0.1596 0.177 Uiso 1 1 calc R . .
H51B H -0.3104 0.7004 0.1548 0.177 Uiso 1 1 calc R . .
H51C H -0.3455 0.7908 0.1194 0.177 Uiso 1 1 calc R . .
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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
As As 0.0499 2.0058 '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
N1 As1 N2 65.61(8) . . ?
N1 As1 Cl1 102.94(7) . . ?
N2 As1 Cl1 91.16(6) . . ?
N1 As1 Cl2 92.23(6) . . ?
N2 As1 Cl2 157.55(6) . . ?
Cl1 As1 Cl2 90.36(3) . . ?
C1 N1 C2 129.76(19) . . ?
C1 N1 As1 97.14(14) . . ?
C2 N1 As1 124.13(15) . . ?
N2 C1 N3 128.4(2) . . ?
N2 C1 N1 104.8(2) . . ?
N3 C1 N1 126.8(2) . . ?
C1 N2 C14 133.4(2) . . ?
C1 N2 As1 91.90(14) . . ?
C14 N2 As1 134.34(16) . . ?
C3 C2 C7 121.7(2) . . ?
C3 C2 N1 120.9(2) . . ?
C7 C2 N1 117.3(2) . . ?
C1 N3 C26 120.18(19) . . ?
C1 N3 C32 117.2(2) . . ?
C26 N3 C32 122.16(19) . . ?
C4 C3 C2 118.2(2) . . ?
C4 C3 C8 119.2(2) . . ?
C2 C3 C8 122.5(2) . . ?
C5 C4 C3 120.8(3) . . ?
C6 C5 C4 120.0(2) . . ?
C5 C6 C7 122.0(2) . . ?
C6 C7 C2 117.2(2) . . ?
C6 C7 C11 119.8(2) . . ?
C2 C7 C11 123.0(2) . . ?
C3 C8 C10 110.3(2) . . ?
C3 C8 C9 113.8(2) . . ?
C10 C8 C9 108.8(2) . . ?
C7 C11 C12 112.6(2) . . ?
C7 C11 C13 111.4(2) . . ?
C12 C11 C13 109.2(3) . . ?
C19 C14 C15 121.2(2) . . ?
C19 C14 N2 121.0(2) . . ?
C15 C14 N2 117.7(2) . . ?
C16 C15 C14 118.2(2) . . ?
C16 C15 C20 120.5(2) . . ?
C14 C15 C20 121.3(2) . . ?
C17 C16 C15 120.9(3) . . ?
C16 C17 C18 120.5(3) . . ?
C17 C18 C19 121.1(3) . . ?
C18 C19 C14 117.8(2) . . ?
C18 C19 C23 118.6(2) . . ?
C14 C19 C23 123.6(2) . . ?
C15 C20 C22 110.0(2) . . ?
C15 C20 C21 114.1(2) . . ?
C22 C20 C21 109.5(2) . . ?
C25 C23 C19 112.4(3) . . ?
C25 C23 C24 109.5(3) . . ?
C19 C23 C24 110.0(2) . . ?
N3 C26 C31 113.7(2) . . ?
N3 C26 C27 114.1(2) . . ?
C31 C26 C27 110.2(2) . . ?
C26 C27 C28 110.1(2) . . ?
C29 C28 C27 111.0(2) . . ?
C28 C29 C30 111.7(2) . . ?
C29 C30 C31 111.0(2) . . ?
C26 C31 C30 109.5(2) . . ?
N3 C32 C33 111.8(2) . . ?
N3 C32 C37 115.6(2) . . ?
C33 C32 C37 111.4(2) . . ?
C32 C33 C34 110.9(2) . . ?
C35 C34 C33 112.2(2) . . ?
C36 C35 C34 111.1(3) . . ?
C35 C36 C37 111.8(2) . . ?
C32 C37 C36 109.3(2) . . ?
C43 C38 C39 117.9(4) . . ?
C43 C38 C44 120.6(4) . . ?
C39 C38 C44 121.4(4) . . ?
C40 C39 C38 122.0(4) . . ?
C41 C40 C39 119.4(4) . . ?
C40 C41 C42 120.5(4) . . ?
C43 C42 C41 119.5(4) . . ?
C42 C43 C38 120.5(4) . . ?
C46 C45 C50 117.6(4) . . ?
C46 C45 C51 121.7(4) . . ?
C50 C45 C51 120.7(4) . . ?
C47 C46 C45 120.7(4) . . ?
C48 C47 C46 120.1(4) . . ?
C49 C48 C47 120.4(4) . . ?
C48 C49 C50 119.8(4) . . ?
C49 C50 C45 121.2(4) . . ?
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
As1 N1 1.915(2) . ?
As1 N2 2.076(2) . ?
As1 Cl1 2.2030(8) . ?
As1 Cl2 2.4006(8) . ?
N1 C1 1.397(3) . ?
N1 C2 1.443(3) . ?
C1 N2 1.337(3) . ?
C1 N3 1.355(3) . ?
N2 C14 1.422(3) . ?
C2 C3 1.408(3) . ?
C2 C7 1.414(3) . ?
N3 C26 1.501(3) . ?
N3 C32 1.506(3) . ?
C3 C4 1.393(4) . ?
C3 C8 1.527(3) . ?
C4 C5 1.389(4) . ?
C5 C6 1.377(4) . ?
C6 C7 1.391(4) . ?
C7 C11 1.517(4) . ?
C8 C10 1.530(4) . ?
C8 C9 1.534(4) . ?
C11 C12 1.529(4) . ?
C11 C13 1.543(4) . ?
C14 C19 1.410(4) . ?
C14 C15 1.412(3) . ?
C15 C16 1.386(4) . ?
C15 C20 1.526(4) . ?
C16 C17 1.379(4) . ?
C17 C18 1.380(4) . ?
C18 C19 1.393(4) . ?
C19 C23 1.520(4) . ?
C20 C22 1.534(4) . ?
C20 C21 1.536(4) . ?
C23 C25 1.519(5) . ?
C23 C24 1.549(4) . ?
C26 C31 1.523(3) . ?
C26 C27 1.532(4) . ?
C27 C28 1.539(4) . ?
C28 C29 1.517(4) . ?
C29 C30 1.520(4) . ?
C30 C31 1.534(4) . ?
C32 C33 1.522(4) . ?
C32 C37 1.526(4) . ?
C33 C34 1.539(4) . ?
C34 C35 1.517(4) . ?
C35 C36 1.509(4) . ?
C36 C37 1.529(4) . ?
C38 C43 1.388(6) . ?
C38 C39 1.388(5) . ?
C38 C44 1.458(6) . ?
C39 C40 1.355(6) . ?
C40 C41 1.354(6) . ?
C41 C42 1.397(6) . ?
C42 C43 1.363(6) . ?
C45 C46 1.387(6) . ?
C45 C50 1.390(6) . ?
C45 C51 1.485(6) . ?
C46 C47 1.374(6) . ?
C47 C48 1.367(6) . ?
C48 C49 1.361(6) . ?
C49 C50 1.372(6) . ?
