#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/52/7205277.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_7205277
loop_
_publ_author_name
'Dey, Sandeep Kumar'
'Ojha, Bimlesh'
'Das, Gopal'
_publ_section_title
;
 A subtle interplay of C--H hydrogen bonds in complexation of anions of
 varied dimensionality by a nitro functionalized tripodal podand
;
_journal_issue                   1
_journal_name_full               CrystEngComm
_journal_page_first              269
_journal_paper_doi               10.1039/c0ce00316f
_journal_volume                  13
_journal_year                    2011
_chemical_formula_moiety         'C24 H25 N4 O9, Br'
_chemical_formula_sum            'C24 H25 Br N4 O9'
_chemical_formula_weight         593.38
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                99.08(1)
_cell_angle_beta                 103.12(5)
_cell_angle_gamma                106.33(3)
_cell_formula_units_Z            2
_cell_length_a                   7.6818(6)
_cell_length_b                   13.3835(11)
_cell_length_c                   13.8995(12)
_cell_measurement_reflns_used    3901
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      26.67
_cell_measurement_theta_min      2.50
_cell_volume                     1297.5(5)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SMART'
_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      298(2)
_diffrn_measured_fraction_theta_full 0.98
_diffrn_measured_fraction_theta_max 0.98
_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  0.0188
_diffrn_reflns_av_sigmaI/netI    0.0344
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            10614
_diffrn_reflns_theta_full        28.34
_diffrn_reflns_theta_max         28.34
_diffrn_reflns_theta_min         1.55
_exptl_absorpt_coefficient_mu    1.644
_exptl_absorpt_correction_T_max  0.591
_exptl_absorpt_correction_T_min  0.506
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADAS (Sheldrick, 1997)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.532
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rectangular
_exptl_crystal_F_000             608
_exptl_crystal_size_max          0.42
_exptl_crystal_size_mid          0.37
_exptl_crystal_size_min          0.32
_refine_diff_density_max         0.423
_refine_diff_density_min         -0.441
_refine_diff_density_rms         0.050
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.026
_refine_ls_matrix_type           full
_refine_ls_number_parameters     356
_refine_ls_number_reflns         5935
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.026
_refine_ls_R_factor_all          0.0515
_refine_ls_R_factor_gt           0.0344
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0497P)²+0.1564P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0854
_refine_ls_wR_factor_ref         0.0928
_reflns_number_gt                6386
_reflns_number_total             6469
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            C0CE00316F.TXT
_cod_data_source_block           nitro-HBr
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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 1555 2011-01-17 13:19:09Z saulius 
;
_cod_original_cell_volume        1297.45(48)
_cod_original_sg_symbol_H-M      'P -1 '
_cod_original_formula_sum        'C24 H25 Br N4 O9 '
_cod_database_code               7205277
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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
O5 O 1.9370(2) 0.16011(17) 1.15321(14) 0.0637(5) Uani 1 1 d . . .
O6 O 1.8660(2) 0.26334(16) 1.26152(14) 0.0636(5) Uani 1 1 d . . .
O2 O 0.1073(4) -0.64415(17) 0.58193(19) 0.0862(7) Uani 1 1 d . . .
O3 O 0.3770(4) -0.65774(18) 0.6513(2) 0.0956(8) Uani 1 1 d . . .
O1 O 0.6167(2) -0.19360(12) 0.58082(13) 0.0471(4) Uani 1 1 d . . .
O4 O 1.1084(2) 0.10508(14) 0.91675(11) 0.0493(4) Uani 1 1 d . . .
O7 O 0.9056(3) 0.26356(13) 0.79640(13) 0.0582(4) Uani 1 1 d . . .
O8 O 0.9210(10) 0.4929(3) 1.2222(4) 0.069(3) Uani 1 1 d . . .
O9 O 0.6462(11) 0.4900(4) 1.1403(5) 0.065(3) Uani 1 1 d . . .
N3 N 1.8267(2) 0.20148(16) 1.17948(15) 0.0444(4) Uani 1 1 d . . .
N2 N 0.2789(4) -0.60706(19) 0.61646(19) 0.0678(7) Uani 1 1 d . . .
N1 N 0.7863(2) 0.03500(13) 0.65975(12) 0.0328(4) Uani 1 1 d . . .
H1N H 0.6569 0.0067 0.6411 0.039 Uiso 1 1 d R . .
N4 N 0.7846(13) 0.4692(3) 1.1434(4) 0.049(2) Uani 1 1 d . . .
C13 C 1.6105(3) 0.13146(17) 1.00774(16) 0.0397(5) Uani 1 1 d . . .
H13 H 1.7081 0.1167 0.9855 0.048 Uiso 1 1 calc R . .
C14 C 1.6399(3) 0.17560(17) 1.10822(16) 0.0375(5) Uani 1 1 d . . .
C15 C 1.4987(3) 0.1973(2) 1.14497(16) 0.0467(5) Uani 1 1 d . . .
H15 H 1.5225 0.2283 1.2134 0.056 Uiso 1 1 calc R . .
C16 C 1.3222(3) 0.1719(2) 1.07812(16) 0.0494(6) Uani 1 1 d . . .
H16 H 1.2241 0.1843 1.1015 0.059 Uiso 1 1 calc R . .
C11 C 1.2896(3) 0.12784(18) 0.97576(15) 0.0392(5) Uani 1 1 d . . .
C12 C 1.4345(3) 0.10888(17) 0.93917(16) 0.0394(5) Uani 1 1 d . . .
H12 H 1.4137 0.0816 0.8702 0.047 Uiso 1 1 calc R . .
C3 C 0.5465(3) -0.29463(17) 0.59420(16) 0.0404(5) Uani 1 1 d . . .
C8 C 0.6565(3) -0.35659(19) 0.62558(18) 0.0484(6) Uani 1 1 d . . .
H8 H 0.7876 -0.3300 0.6401 0.058 Uiso 1 1 calc R . .
C7 C 0.5677(4) -0.4586(2) 0.63482(18) 0.0533(6) Uani 1 1 d . . .
H7 H 0.6390 -0.5012 0.6558 0.064 Uiso 1 1 calc R . .
C6 C 0.3737(4) -0.49670(18) 0.61289(17) 0.0498(6) Uani 1 1 d . . .
C5 C 0.2642(3) -0.4345(2) 0.58385(18) 0.0519(6) Uani 1 1 d . . .
H5 H 0.1334 -0.4609 0.5709 0.062 Uiso 1 1 calc R . .
C4 C 0.3504(3) -0.33350(19) 0.57435(18) 0.0467(5) Uani 1 1 d . . .
H4 H 0.2782 -0.2909 0.5547 0.056 Uiso 1 1 calc R . .
C10 C 1.0717(3) 0.07563(19) 0.80924(15) 0.0420(5) Uani 1 1 d . . .
H10A H 1.1225 0.0194 0.7898 0.050 Uiso 1 1 calc R . .
H10B H 1.1266 0.1368 0.7836 0.050 Uiso 1 1 calc R . .
C9 C 0.8573(3) 0.03610(17) 0.76924(15) 0.0354(4) Uani 1 1 d . . .
H9A H 0.8089 -0.0359 0.7783 0.043 Uiso 1 1 calc R . .
H9B H 0.8082 0.0817 0.8091 0.043 Uiso 1 1 calc R . .
C17 C 0.8238(4) 0.14390(18) 0.63551(17) 0.0466(5) Uani 1 1 d . . .
H17A H 0.9583 0.1748 0.6439 0.056 Uiso 1 1 calc R . .
H17B H 0.7577 0.1348 0.5647 0.056 Uiso 1 1 calc R . .
C18 C 0.7636(4) 0.2215(2) 0.70043(19) 0.0562(6) Uani 1 1 d . . .
H18A H 0.7508 0.2790 0.6679 0.067 Uiso 1 1 calc R . .
H18B H 0.6425 0.1851 0.7099 0.067 Uiso 1 1 calc R . .
C1 C 0.8531(3) -0.03382(17) 0.58962(15) 0.0387(5) Uani 1 1 d . . .
H1A H 0.7907 -0.0361 0.5199 0.046 Uiso 1 1 calc R . .
H1B H 0.9880 -0.0004 0.6014 0.046 Uiso 1 1 calc R . .
C2 C 0.8166(3) -0.14620(17) 0.60201(17) 0.0422(5) Uani 1 1 d . . .
H2A H 0.8817 -0.1453 0.6739 0.051 Uiso 1 1 d R . .
H2B H 0.8670 -0.1884 0.5590 0.051 Uiso 1 1 d R . .
C19 C 0.8647(4) 0.31340(19) 0.8775(2) 0.0605(7) Uani 1 1 d . . .
C24 C 0.7032(6) 0.3413(2) 0.8721(3) 0.0769(9) Uani 1 1 d . . .
C20 C 1.0024(6) 0.3364(2) 0.9696(2) 0.0721(9) Uani 1 1 d . . .
C23 C 0.6826(9) 0.3917(3) 0.9630(5) 0.057(3) Uani 1 1 d . . .
C21 C 0.9758(8) 0.3874(2) 1.0570(3) 0.036(3) Uani 1 1 d . . .
H21 H 1.0670 0.4034 1.1191 0.118 Uiso 1 1 calc R . .
C22 C 0.8178(10) 0.4139(3) 1.0521(4) 0.053(3) Uani 1 1 d . . .
Br1 Br 0.64852(3) 1.02883(2) 0.343585(17) 0.04732(10) Uani 1 1 d . . .
H23 H 0.575(5) 0.407(3) 0.951(3) 0.084(11) Uiso 1 1 d . . .
H20 H 1.120(5) 0.319(3) 0.969(3) 0.094(12) Uiso 1 1 d . . .
H24 H 0.614(5) 0.326(3) 0.812(3) 0.080(11) Uiso 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'
Br Br -0.2901 2.4595 '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
_geom_angle_publ_flag
C3 O1 C2 118.65(16) . . ?
C11 O4 C10 117.97(15) . . ?
C19 O7 C18 119.4(2) . . ?
O6 N3 O5 123.25(19) . . ?
O6 N3 C14 118.75(18) . . ?
O5 N3 C14 118.00(19) . . ?
O2 N2 O3 123.6(3) . . ?
O2 N2 C6 118.4(3) . . ?
O3 N2 C6 118.0(3) . . ?
C9 N1 C1 113.90(15) . . ?
C9 N1 C17 115.37(16) . . ?
C1 N1 C17 108.53(16) . . ?
C9 N1 H1N 107.6 . . ?
C1 N1 H1N 106.7 . . ?
C17 N1 H1N 103.9 . . ?
O9 N4 O8 124.5(5) . . ?
O9 N4 C22 122.2(9) . . ?
O8 N4 C22 113.3(8) . . ?
C14 C13 C12 119.64(19) . . ?
C14 C13 H13 120.2 . . ?
C12 C13 H13 120.2 . . ?
C13 C14 C15 122.27(19) . . ?
C13 C14 N3 119.32(18) . . ?
C15 C14 N3 118.41(19) . . ?
C16 C15 C14 118.46(19) . . ?
C16 C15 H15 120.8 . . ?
C14 C15 H15 120.8 . . ?
C15 C16 C11 120.22(19) . . ?
C15 C16 H16 119.9 . . ?
C11 C16 H16 119.9 . . ?
O4 C11 C16 115.01(18) . . ?
O4 C11 C12 124.22(18) . . ?
C16 C11 C12 120.77(19) . . ?
C13 C12 C11 118.59(19) . . ?
C13 C12 H12 120.7 . . ?
C11 C12 H12 120.7 . . ?
O1 C3 C8 124.56(19) . . ?
O1 C3 C4 114.79(19) . . ?
C8 C3 C4 120.7(2) . . ?
C7 C8 C3 118.9(2) . . ?
C7 C8 H8 120.5 . . ?
C3 C8 H8 120.5 . . ?
C6 C7 C8 119.7(2) . . ?
C6 C7 H7 120.1 . . ?
C8 C7 H7 120.1 . . ?
C7 C6 C5 121.5(2) . . ?
C7 C6 N2 119.7(2) . . ?
C5 C6 N2 118.7(2) . . ?
C4 C5 C6 119.3(2) . . ?
C4 C5 H5 120.4 . . ?
C6 C5 H5 120.4 . . ?
C5 C4 C3 119.9(2) . . ?
C5 C4 H4 120.1 . . ?
C3 C4 H4 120.1 . . ?
O4 C10 C9 104.10(16) . . ?
O4 C10 H10A 110.9 . . ?
C9 C10 H10A 110.9 . . ?
O4 C10 H10B 110.9 . . ?
C9 C10 H10B 110.9 . . ?
H10A C10 H10B 109.0 . . ?
N1 C9 C10 113.39(16) . . ?
N1 C9 H9A 108.9 . . ?
C10 C9 H9A 108.9 . . ?
N1 C9 H9B 108.9 . . ?
C10 C9 H9B 108.9 . . ?
H9A C9 H9B 107.7 . . ?
C18 C17 N1 114.23(19) . . ?
C18 C17 H17A 108.7 . . ?
N1 C17 H17A 108.7 . . ?
C18 C17 H17B 108.7 . . ?
N1 C17 H17B 108.7 . . ?
H17A C17 H17B 107.6 . . ?
O7 C18 C17 107.8(2) . . ?
O7 C18 H18A 110.2 . . ?
C17 C18 H18A 110.2 . . ?
O7 C18 H18B 110.2 . . ?
C17 C18 H18B 110.2 . . ?
H18A C18 H18B 108.5 . . ?
C2 C1 N1 114.38(17) . . ?
C2 C1 H1A 108.7 . . ?
N1 C1 H1A 108.7 . . ?
C2 C1 H1B 108.7 . . ?
N1 C1 H1B 108.7 . . ?
H1A C1 H1B 107.6 . . ?
O1 C2 C1 106.95(17) . . ?
O1 C2 H2A 110.1 . . ?
C1 C2 H2A 109.7 . . ?
O1 C2 H2B 111.2 . . ?
C1 C2 H2B 113.4 . . ?
H2A C2 H2B 105.5 . . ?
O7 C19 C24 124.8(3) . . ?
O7 C19 C20 114.2(3) . . ?
C24 C19 C20 121.0(3) . . ?
C19 C24 C23 117.5(5) . . ?
C19 C24 H24 120(2) . . ?
C23 C24 H24 122(2) . . ?
C21 C20 C19 119.1(4) . . ?
C21 C20 H20 123(2) . . ?
C19 C20 H20 118(2) . . ?
C22 C23 C24 121.0(5) . . ?
C22 C23 H23 129(3) . . ?
C24 C23 H23 110(3) . . ?
C22 C21 C20 120.0(4) . . ?
C22 C21 H21 120.0 . . ?
C20 C21 H21 120.0 . . ?
C21 C22 C23 121.4(4) . . ?
C21 C22 N4 121.8(7) . . ?
C23 C22 N4 116.8(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
O5 N3 1.224(2) . ?
O6 N3 1.218(3) . ?
O2 N2 1.218(3) . ?
O3 N2 1.220(3) . ?
O1 C3 1.367(3) . ?
O1 C2 1.427(2) . ?
O4 C11 1.366(2) . ?
O4 C10 1.424(2) . ?
O7 C19 1.362(3) . ?
O7 C18 1.429(3) . ?
O8 N4 1.258(10) . ?
O9 N4 1.166(10) . ?
N3 C14 1.459(3) . ?
N2 C6 1.466(3) . ?
N1 C9 1.492(2) . ?
N1 C1 1.507(2) . ?
N1 C17 1.511(3) . ?
N1 H1N 0.9162 . ?
N4 C22 1.476(6) . ?
C13 C14 1.368(3) . ?
C13 C12 1.386(3) . ?
C13 H13 0.9300 . ?
C14 C15 1.380(3) . ?
C15 C16 1.374(3) . ?
C15 H15 0.9300 . ?
C16 C11 1.388(3) . ?
C16 H16 0.9300 . ?
C11 C12 1.392(3) . ?
C12 H12 0.9300 . ?
C3 C8 1.390(3) . ?
C3 C4 1.394(3) . ?
C8 C7 1.385(3) . ?
C8 H8 0.9300 . ?
C7 C6 1.375(4) . ?
C7 H7 0.9300 . ?
C6 C5 1.382(4) . ?
C5 C4 1.369(3) . ?
C5 H5 0.9300 . ?
C4 H4 0.9300 . ?
C10 C9 1.517(3) . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C17 C18 1.506(3) . ?
C17 H17A 0.9700 . ?
C17 H17B 0.9700 . ?
C18 H18A 0.9700 . ?
C18 H18B 0.9700 . ?
C1 C2 1.496(3) . ?
C1 H1A 0.9700 . ?
C1 H1B 0.9700 . ?
C2 H2A 1.0071 . ?
C2 H2B 0.9730 . ?
C19 C24 1.383(5) . ?
C19 C20 1.390(5) . ?
C24 C23 1.399(6) . ?
C24 H24 0.90(3) . ?
C20 C21 1.382(5) . ?
C20 H20 1.00(4) . ?
C23 C22 1.352(8) . ?
C23 H23 0.89(3) . ?
C21 C22 1.347(7) . ?
C21 H21 0.9300 . ?
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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C12 C13 C14 C15 1.1(3) . . . . ?
C12 C13 C14 N3 -178.56(19) . . . . ?
O6 N3 C14 C13 162.1(2) . . . . ?
O5 N3 C14 C13 -17.4(3) . . . . ?
O6 N3 C14 C15 -17.5(3) . . . . ?
O5 N3 C14 C15 162.9(2) . . . . ?
C13 C14 C15 C16 1.0(4) . . . . ?
N3 C14 C15 C16 -179.3(2) . . . . ?
C14 C15 C16 C11 -1.5(4) . . . . ?
C10 O4 C11 C16 170.4(2) . . . . ?
C10 O4 C11 C12 -10.1(3) . . . . ?
C15 C16 C11 O4 179.5(2) . . . . ?
C15 C16 C11 C12 -0.1(4) . . . . ?
C14 C13 C12 C11 -2.7(3) . . . . ?
O4 C11 C12 C13 -177.3(2) . . . . ?
C16 C11 C12 C13 2.2(3) . . . . ?
C2 O1 C3 C8 -1.3(3) . . . . ?
C2 O1 C3 C4 178.37(19) . . . . ?
O1 C3 C8 C7 -179.1(2) . . . . ?
C4 C3 C8 C7 1.3(3) . . . . ?
C3 C8 C7 C6 0.1(3) . . . . ?
C8 C7 C6 C5 -1.5(4) . . . . ?
C8 C7 C6 N2 176.2(2) . . . . ?
O2 N2 C6 C7 -168.9(2) . . . . ?
O3 N2 C6 C7 9.0(4) . . . . ?
O2 N2 C6 C5 8.9(3) . . . . ?
O3 N2 C6 C5 -173.2(3) . . . . ?
C7 C6 C5 C4 1.6(4) . . . . ?
N2 C6 C5 C4 -176.1(2) . . . . ?
C6 C5 C4 C3 -0.2(3) . . . . ?
O1 C3 C4 C5 179.1(2) . . . . ?
C8 C3 C4 C5 -1.3(3) . . . . ?
C11 O4 C10 C9 169.59(19) . . . . ?
C1 N1 C9 C10 58.8(2) . . . . ?
C17 N1 C9 C10 -67.7(2) . . . . ?
O4 C10 C9 N1 160.82(17) . . . . ?
C9 N1 C17 C18 -50.8(3) . . . . ?
C1 N1 C17 C18 -179.97(19) . . . . ?
C19 O7 C18 C17 -163.1(2) . . . . ?
N1 C17 C18 O7 79.0(3) . . . . ?
C9 N1 C1 C2 52.6(2) . . . . ?
C17 N1 C1 C2 -177.40(17) . . . . ?
C3 O1 C2 C1 -175.20(17) . . . . ?
N1 C1 C2 O1 60.3(2) . . . . ?
C18 O7 C19 C24 -10.0(4) . . . . ?
C18 O7 C19 C20 170.7(2) . . . . ?
O7 C19 C24 C23 179.7(3) . . . . ?
C20 C19 C24 C23 -1.1(4) . . . . ?
O7 C19 C20 C21 179.7(2) . . . . ?
C24 C19 C20 C21 0.4(4) . . . . ?
C19 C24 C23 C22 1.2(5) . . . . ?
C19 C20 C21 C22 0.2(5) . . . . ?
C20 C21 C22 C23 -0.1(5) . . . . ?
C20 C21 C22 N4 -179.5(3) . . . . ?
C24 C23 C22 C21 -0.7(6) . . . . ?
C24 C23 C22 N4 178.8(3) . . . . ?
O9 N4 C22 C21 -178.0(5) . . . . ?
O8 N4 C22 C21 3.5(5) . . . . ?
O9 N4 C22 C23 2.5(7) . . . . ?
O8 N4 C22 C23 -175.9(4) . . . . ?
