#------------------------------------------------------------------------------
#$Date: 2016-02-13 14:50:18 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176428 $
#$URL: svn://www.crystallography.net/cod/cif/7/22/30/7223030.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_7223030
loop_
_publ_author_name
'Soman, Rahul'
'Subramaniam, Sujatha'
'Arunkumar, Chellaiah'
_publ_section_title
;
 Protonation and axial ligation intervened fluorescent turn-off sensing of
 picric acid in freebase and tin(IV) porphyrins
;
_journal_name_full               'RSC Adv.'
_journal_paper_doi               10.1039/C5RA18310C
_journal_year                    2015
_chemical_formula_sum            'C64 H48 N6 O14'
_chemical_formula_weight         1125.08
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2014-01-09 deposited with the CCDC.
2015-10-26 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 99.118(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   32.538(2)
_cell_length_b                   7.1831(4)
_cell_length_c                   23.8130(18)
_cell_measurement_reflns_used    4822
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      25.00
_cell_measurement_theta_min      2.54
_cell_volume                     5495.3(6)
_computing_cell_refinement       'APEX2/SAINT (Bruker, 2004)'
_computing_data_collection       'APEX2 (Bruker, 2004)'
_computing_data_reduction        'SAINT/XPREP (Bruker, 2004)'
_computing_molecular_graphics
'ORTEP3 (Farrugia, 1997) and Mercury (Bruno et al., 2002)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SIR92 (Altornare et al., 1993)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker axs kappa apex2 CCD Diffractometer'
_diffrn_measurement_method       'ω and φ scan'
_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  0.0317
_diffrn_reflns_av_sigmaI/netI    0.0384
_diffrn_reflns_limit_h_max       38
_diffrn_reflns_limit_h_min       -38
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -5
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            15984
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.54
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    0.097
_exptl_absorpt_correction_T_max  0.9761
_exptl_absorpt_correction_T_min  0.9621
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker, 1999)'
_exptl_crystal_colour            Purple
_exptl_crystal_density_diffrn    1.360
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             2344
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.25
_refine_diff_density_max         0.307
_refine_diff_density_min         -0.315
_refine_diff_density_rms         0.073
_refine_ls_extinction_coef       0.0013(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.056
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     396
_refine_ls_number_reflns         4822
_refine_ls_number_restraints     21
_refine_ls_restrained_S_all      1.057
_refine_ls_R_factor_all          0.0863
_refine_ls_R_factor_gt           0.0567
_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)+(0.0952P)²+4.2585P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1521
_refine_ls_wR_factor_ref         0.1805
_reflns_number_gt                3332
_reflns_number_total             4822
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5ra18310c2.cif
_cod_data_source_block           shelxl
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 3271 2015-04-21 07:52:19Z andrius 
;
_cod_original_cell_volume        5495.3(7)
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7223030
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -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
C18 C 0.42645(15) -0.4534(5) 0.34123(15) 0.0888(13) Uani 1 1 d . . .
H18A H 0.4296 -0.3886 0.3769 0.133 Uiso 1 1 calc R . .
H18B H 0.4450 -0.5582 0.3444 0.133 Uiso 1 1 calc R . .
H18C H 0.3983 -0.4959 0.3314 0.133 Uiso 1 1 calc R . .
C17 C 0.43349(10) -0.3939(4) 0.24546(13) 0.0497(7) Uani 1 1 d D . .
C14 C 0.44469(8) -0.2546(3) 0.20462(11) 0.0380(6) Uani 1 1 d . A .
C15 C 0.44752(9) -0.0677(4) 0.21787(11) 0.0442(7) Uani 1 1 d . . .
H15 H 0.4428 -0.0268 0.2534 0.053 Uiso 1 1 calc R A .
C16 C 0.45731(9) 0.0581(3) 0.17853(12) 0.0454(7) Uani 1 1 d . A .
H16 H 0.4591 0.1839 0.1878 0.055 Uiso 1 1 calc R . .
C11 C 0.46459(7) 0.0015(3) 0.12559(10) 0.0318(5) Uani 1 1 d . . .
C12 C 0.46166(8) -0.1865(3) 0.11243(11) 0.0405(6) Uani 1 1 d . A .
H12 H 0.4667 -0.2278 0.0771 0.049 Uiso 1 1 calc R . .
C13 C 0.45127(9) -0.3124(4) 0.15148(12) 0.0450(7) Uani 1 1 d . . .
H13 H 0.4487 -0.4379 0.1419 0.054 Uiso 1 1 calc R A .
C5 C 0.47528(7) 0.1428(3) 0.08389(10) 0.0308(5) Uani 1 1 d . A .
C4 C 0.44281(7) 0.2587(3) 0.05887(10) 0.0322(5) Uani 1 1 d . . .
C3 C 0.40041(7) 0.2426(4) 0.06763(12) 0.0410(6) Uani 1 1 d . A .
H3 H 0.3899 0.1545 0.0902 0.049 Uiso 1 1 calc R . .
C2 C 0.37866(8) 0.3776(4) 0.03740(12) 0.0419(7) Uani 1 1 d . . .
H2 H 0.3503 0.4001 0.0352 0.050 Uiso 1 1 calc R A .
C1 C 0.40717(7) 0.4813(3) 0.00900(10) 0.0332(6) Uani 1 1 d . . .
C6 C 0.51663(7) 0.1544(3) 0.07584(10) 0.0317(6) Uani 1 1 d . . .
C7 C 0.54981(8) 0.0406(3) 0.10403(11) 0.0398(6) Uani 1 1 d . A .
H7 H 0.5473 -0.0570 0.1289 0.048 Uiso 1 1 calc R . .
C8 C 0.58521(8) 0.1007(4) 0.08796(11) 0.0405(6) Uani 1 1 d . . .
H8 H 0.6117 0.0524 0.0998 0.049 Uiso 1 1 calc R A .
C9 C 0.57490(7) 0.2526(3) 0.04936(10) 0.0322(5) Uani 1 1 d . A .
C10 C 0.60316(7) 0.3615(3) 0.02506(10) 0.0333(6) Uani 1 1 d . . .
C19 C 0.64809(7) 0.3112(3) 0.03841(11) 0.0366(6) Uani 1 1 d . A .
C20 C 0.66264(8) 0.1381(4) 0.02472(12) 0.0429(7) Uani 1 1 d . . .
H20 H 0.6442 0.0510 0.0061 0.052 Uiso 1 1 calc R A .
C21 C 0.70427(8) 0.0940(4) 0.03846(12) 0.0473(7) Uani 1 1 d . A .
H21 H 0.7136 -0.0228 0.0293 0.057 Uiso 1 1 calc R . .
C22 C 0.73215(8) 0.2212(4) 0.06564(12) 0.0465(7) Uani 1 1 d . . .
C23 C 0.71801(8) 0.3948(4) 0.07932(13) 0.0534(8) Uani 1 1 d . A .
H23 H 0.7366 0.4816 0.0978 0.064 Uiso 1 1 calc R . .
C24 C 0.67650(8) 0.4386(4) 0.06555(12) 0.0482(7) Uani 1 1 d . . .
H24 H 0.6673 0.5558 0.0746 0.058 Uiso 1 1 calc R A .
C25 C 0.77658(9) 0.1672(5) 0.08119(14) 0.0556(8) Uani 1 1 d . A .
C26 C 0.84255(9) 0.2601(6) 0.12920(18) 0.0859(12) Uani 1 1 d . A .
H26A H 0.8557 0.3655 0.1493 0.129 Uiso 1 1 calc R . .
H26B H 0.8559 0.2338 0.0969 0.129 Uiso 1 1 calc R . .
H26C H 0.8450 0.1539 0.1540 0.129 Uiso 1 1 calc R . .
C27 C 0.25930(18) 0.2539(6) -0.2143(2) 0.0932(14) Uani 1 1 d . . .
C28 C 0.24567(19) 0.2886(6) -0.2702(2) 0.1016(15) Uani 1 1 d . . .
H28 H 0.2645 0.3079 -0.2952 0.122 Uiso 1 1 calc R . .
C29 C 0.20329(18) 0.2947(6) -0.2895(2) 0.0968(14) Uani 1 1 d . . .
H29 H 0.1932 0.3170 -0.3276 0.116 Uiso 1 1 calc R . .
C30 C 0.17668(17) 0.2675(6) -0.2517(2) 0.0936(14) Uani 1 1 d . . .
C31 C 0.1896(2) 0.2332(6) -0.1956(2) 0.1044(16) Uani 1 1 d . . .
H31 H 0.1706 0.2158 -0.1707 0.125 Uiso 1 1 calc R . .
C32 C 0.2318(2) 0.2249(6) -0.1770(2) 0.1120(19) Uani 1 1 d . . .
H32 H 0.2418 0.1995 -0.1389 0.134 Uiso 1 1 calc R . .
N3 N 0.3049(2) 0.2455(6) -0.1964(3) 0.1244(17) Uani 1 1 d . . .
O1 O 0.43630(7) -0.3289(3) 0.29743(9) 0.0631(6) Uani 1 1 d . A .
O3 O 0.79918(6) 0.3008(4) 0.11028(11) 0.0759(7) Uani 1 1 d . . .
O4 O 0.79049(7) 0.0197(4) 0.07013(11) 0.0748(7) Uani 1 1 d . . .
O5 O 0.32855(16) 0.2800(8) -0.2298(3) 0.175(2) Uani 1 1 d . . .
O6 O 0.31657(17) 0.1981(6) -0.1460(2) 0.1605(18) Uani 1 1 d . . .
O7 O 0.13529(13) 0.2810(5) -0.27295(16) 0.1257(12) Uani 1 1 d . . .
H7A H 0.1216 0.2614 -0.2475 0.189 Uiso 1 1 calc R . .
O2 O 0.41997(17) -0.5487(4) 0.23112(15) 0.0680(14) Uani 0.868(12) 1 d PDU A 1
O2' O 0.4486(11) -0.553(2) 0.2454(10) 0.070(8) Uani 0.132(12) 1 d PDU A 2
N1 N 0.44598(6) 0.4051(3) 0.02312(8) 0.0313(5) Uani 1 1 d D A .
N2 N 0.53283(6) 0.2806(3) 0.04224(8) 0.0306(5) Uani 1 1 d D A .
H1 H 0.4670(11) 0.432(7) 0.007(2) 0.037 Uiso 0.50 1 d PD . .
H1' H 0.5200(14) 0.370(5) 0.0232(19) 0.037 Uiso 0.50 1 d PD . .
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
O1 C18 H18A 109.5 . .
O1 C18 H18B 109.5 . .
H18A C18 H18B 109.5 . .
O1 C18 H18C 109.5 . .
H18A C18 H18C 109.5 . .
H18B C18 H18C 109.5 . .
O2 C17 O2' 44.7(15) . .
O2 C17 O1 123.7(3) . .
O2' C17 O1 111.1(11) . .
O2 C17 C14 123.1(3) . .
O2' C17 C14 118.8(11) . .
O1 C17 C14 113.0(2) . .
C15 C14 C13 119.2(2) . .
C15 C14 C17 121.5(2) . .
C13 C14 C17 119.2(2) . .
C16 C15 C14 119.9(2) . .
C16 C15 H15 120.1 . .
C14 C15 H15 120.1 . .
C15 C16 C11 121.4(2) . .
C15 C16 H16 119.3 . .
C11 C16 H16 119.3 . .
C16 C11 C12 118.5(2) . .
C16 C11 C5 119.8(2) . .
C12 C11 C5 121.7(2) . .
C13 C12 C11 120.2(2) . .
C13 C12 H12 119.9 . .
C11 C12 H12 119.9 . .
C12 C13 C14 120.8(2) . .
C12 C13 H13 119.6 . .
C14 C13 H13 119.6 . .
C6 C5 C4 125.9(2) . .
C6 C5 C11 117.6(2) . .
C4 C5 C11 116.5(2) . .
N1 C4 C5 126.5(2) . .
N1 C4 C3 108.8(2) . .
C5 C4 C3 124.6(2) . .
C2 C3 C4 107.6(2) . .
C2 C3 H3 126.2 . .
C4 C3 H3 126.2 . .
C3 C2 C1 107.6(2) . .
C3 C2 H2 126.2 . .
C1 C2 H2 126.2 . .
N1 C1 C10 126.3(2) . 5_665
N1 C1 C2 108.4(2) . .
C10 C1 C2 125.2(2) 5_665 .
N2 C6 C5 126.2(2) . .
N2 C6 C7 108.7(2) . .
C5 C6 C7 125.1(2) . .
C8 C7 C6 107.5(2) . .
C8 C7 H7 126.3 . .
C6 C7 H7 126.3 . .
C7 C8 C9 107.7(2) . .
C7 C8 H8 126.1 . .
C9 C8 H8 126.1 . .
N2 C9 C10 125.2(2) . .
N2 C9 C8 108.6(2) . .
C10 C9 C8 126.1(2) . .
C9 C10 C1 125.2(2) . 5_665
C9 C10 C19 117.6(2) . .
C1 C10 C19 117.1(2) 5_665 .
C24 C19 C20 118.3(2) . .
C24 C19 C10 119.9(2) . .
C20 C19 C10 121.8(2) . .
C21 C20 C19 120.6(3) . .
C21 C20 H20 119.7 . .
C19 C20 H20 119.7 . .
C22 C21 C20 120.6(3) . .
C22 C21 H21 119.7 . .
C20 C21 H21 119.7 . .
C21 C22 C23 119.3(2) . .
C21 C22 C25 119.2(3) . .
C23 C22 C25 121.5(3) . .
C24 C23 C22 120.0(3) . .
C24 C23 H23 120.0 . .
C22 C23 H23 120.0 . .
C23 C24 C19 121.1(3) . .
C23 C24 H24 119.4 . .
C19 C24 H24 119.4 . .
O4 C25 O3 123.6(3) . .
O4 C25 C22 124.2(3) . .
O3 C25 C22 112.1(3) . .
O3 C26 H26A 109.5 . .
O3 C26 H26B 109.5 . .
H26A C26 H26B 109.5 . .
O3 C26 H26C 109.5 . .
H26A C26 H26C 109.5 . .
H26B C26 H26C 109.5 . .
C28 C27 C32 121.2(6) . .
C28 C27 N3 116.6(5) . .
C32 C27 N3 122.2(5) . .
C27 C28 C29 118.9(5) . .
C27 C28 H28 120.5 . .
C29 C28 H28 120.5 . .
C30 C29 C28 118.9(5) . .
C30 C29 H29 120.6 . .
C28 C29 H29 120.6 . .
C31 C30 C29 123.2(5) . .
C31 C30 O7 120.7(5) . .
C29 C30 O7 116.0(5) . .
C30 C31 C32 117.5(5) . .
C30 C31 H31 121.2 . .
C32 C31 H31 121.2 . .
C27 C32 C31 120.2(5) . .
C27 C32 H32 119.9 . .
C31 C32 H32 119.9 . .
O5 N3 O6 123.8(7) . .
O5 N3 C27 120.8(5) . .
O6 N3 C27 115.4(6) . .
C17 O1 C18 118.0(2) . .
C25 O3 C26 116.6(3) . .
C30 O7 H7A 109.5 . .
C4 N1 C1 107.63(19) . .
C4 N1 H1 126(3) . .
C1 N1 H1 125(3) . .
C9 N2 C6 107.51(18) . .
C9 N2 H1' 125(3) . .
C6 N2 H1' 127(3) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C18 O1 1.448(4) .
C18 H18A 0.9600 .
C18 H18B 0.9600 .
C18 H18C 0.9600 .
C17 O2 1.224(4) .
C17 O2' 1.245(10) .
C17 O1 1.312(4) .
C17 C14 1.481(4) .
C14 C15 1.379(4) .
C14 C13 1.380(4) .
C15 C16 1.375(4) .
C15 H15 0.9300 .
C16 C11 1.380(4) .
C16 H16 0.9300 .
C11 C12 1.386(3) .
C11 C5 1.499(3) .
C12 C13 1.377(4) .
C12 H12 0.9300 .
C13 H13 0.9300 .
C5 C6 1.391(3) .
C5 C4 1.402(3) .
C4 N1 1.367(3) .
C4 C3 1.432(3) .
C3 C2 1.341(4) .
C3 H3 0.9300 .
C2 C1 1.439(3) .
C2 H2 0.9300 .
C1 N1 1.368(3) .
C1 C10 1.400(3) 5_665
C6 N2 1.369(3) .
C6 C7 1.434(3) .
C7 C8 1.341(4) .
C7 H7 0.9300 .
C8 C9 1.432(3) .
C8 H8 0.9300 .
C9 N2 1.367(3) .
C9 C10 1.400(3) .
C10 C1 1.400(3) 5_665
C10 C19 1.491(3) .
C19 C24 1.386(4) .
C19 C20 1.388(4) .
C20 C21 1.379(4) .
C20 H20 0.9300 .
C21 C22 1.374(4) .
C21 H21 0.9300 .
C22 C23 1.386(4) .
C22 C25 1.486(4) .
C23 C24 1.375(4) .
C23 H23 0.9300 .
C24 H24 0.9300 .
C25 O4 1.198(4) .
C25 O3 1.334(4) .
C26 O3 1.442(4) .
C26 H26A 0.9600 .
C26 H26B 0.9600 .
C26 H26C 0.9600 .
C27 C28 1.359(6) .
C27 C32 1.373(7) .
C27 N3 1.477(7) .
C28 C29 1.383(6) .
C28 H28 0.9300 .
C29 C30 1.358(6) .
C29 H29 0.9300 .
C30 C31 1.357(7) .
C30 O7 1.365(6) .
C31 C32 1.378(7) .
C31 H31 0.9300 .
C32 H32 0.9300 .
N3 O5 1.218(6) .
N3 O6 1.248(6) .
O7 H7A 0.8200 .
N1 H1 0.85(2) .
N2 H1' 0.85(2) .
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
O2 C17 C14 C15 159.9(4) . .
O2' C17 C14 C15 -147.7(19) . .
O1 C17 C14 C15 -14.8(4) . .
O2 C17 C14 C13 -18.2(5) . .
O2' C17 C14 C13 34.2(19) . .
O1 C17 C14 C13 167.1(3) . .
C13 C14 C15 C16 -0.8(4) . .
C17 C14 C15 C16 -178.9(3) . .
C14 C15 C16 C11 -0.2(4) . .
C15 C16 C11 C12 0.3(4) . .
C15 C16 C11 C5 -179.9(2) . .
C16 C11 C12 C13 0.7(4) . .
C5 C11 C12 C13 -179.2(2) . .
C11 C12 C13 C14 -1.7(4) . .
C15 C14 C13 C12 1.7(4) . .
C17 C14 C13 C12 179.9(3) . .
C16 C11 C5 C6 104.2(3) . .
C12 C11 C5 C6 -76.0(3) . .
C16 C11 C5 C4 -72.4(3) . .
C12 C11 C5 C4 107.4(3) . .
C6 C5 C4 N1 -1.3(4) . .
C11 C5 C4 N1 175.0(2) . .
C6 C5 C4 C3 179.5(2) . .
C11 C5 C4 C3 -4.2(4) . .
N1 C4 C3 C2 0.1(3) . .
C5 C4 C3 C2 179.4(2) . .
C4 C3 C2 C1 0.0(3) . .
C3 C2 C1 N1 -0.1(3) . .
C3 C2 C1 C10 -177.4(2) . 5_665
C4 C5 C6 N2 0.1(4) . .
C11 C5 C6 N2 -176.1(2) . .
C4 C5 C6 C7 176.7(2) . .
C11 C5 C6 C7 0.5(4) . .
N2 C6 C7 C8 0.9(3) . .
C5 C6 C7 C8 -176.2(2) . .
C6 C7 C8 C9 -0.2(3) . .
C7 C8 C9 N2 -0.6(3) . .
C7 C8 C9 C10 176.3(2) . .
N2 C9 C10 C1 1.8(4) . 5_665
C8 C9 C10 C1 -174.6(2) . 5_665
N2 C9 C10 C19 179.1(2) . .
C8 C9 C10 C19 2.7(4) . .
C9 C10 C19 C24 -119.5(3) . .
C1 C10 C19 C24 58.0(3) 5_665 .
C9 C10 C19 C20 60.1(3) . .
C1 C10 C19 C20 -122.5(3) 5_665 .
C24 C19 C20 C21 0.7(4) . .
C10 C19 C20 C21 -178.9(2) . .
C19 C20 C21 C22 -0.4(4) . .
C20 C21 C22 C23 0.2(4) . .
C20 C21 C22 C25 178.4(3) . .
C21 C22 C23 C24 -0.2(5) . .
C25 C22 C23 C24 -178.4(3) . .
C22 C23 C24 C19 0.6(5) . .
C20 C19 C24 C23 -0.8(4) . .
C10 C19 C24 C23 178.8(3) . .
C21 C22 C25 O4 2.3(5) . .
C23 C22 C25 O4 -179.5(3) . .
C21 C22 C25 O3 -176.2(3) . .
C23 C22 C25 O3 2.0(4) . .
C32 C27 C28 C29 0.1(7) . .
N3 C27 C28 C29 178.9(4) . .
C27 C28 C29 C30 0.6(7) . .
C28 C29 C30 C31 -0.4(7) . .
C28 C29 C30 O7 178.0(4) . .
C29 C30 C31 C32 -0.4(7) . .
O7 C30 C31 C32 -178.8(4) . .
C28 C27 C32 C31 -1.0(7) . .
N3 C27 C32 C31 -179.7(4) . .
C30 C31 C32 C27 1.1(7) . .
C28 C27 N3 O5 4.5(7) . .
C32 C27 N3 O5 -176.7(5) . .
C28 C27 N3 O6 -174.2(4) . .
C32 C27 N3 O6 4.6(6) . .
O2 C17 O1 C18 5.9(6) . .
O2' C17 O1 C18 -42.9(18) . .
C14 C17 O1 C18 -179.4(3) . .
O4 C25 O3 C26 -0.5(5) . .
C22 C25 O3 C26 177.9(3) . .
C5 C4 N1 C1 -179.4(2) . .
C3 C4 N1 C1 -0.1(3) . .
C10 C1 N1 C4 177.4(2) 5_665 .
C2 C1 N1 C4 0.1(3) . .
C10 C9 N2 C6 -175.7(2) . .
C8 C9 N2 C6 1.2(3) . .
C5 C6 N2 C9 175.8(2) . .
C7 C6 N2 C9 -1.3(3) . .
