#------------------------------------------------------------------------------
#$Date: 2016-02-20 05:06:23 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176774 $
#$URL: svn://www.crystallography.net/cod/cif/2/20/70/2207016.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2207016
loop_
_publ_author_name
'Vysotsky, Myroslav O.'
'Böhmer, Volker'
'Bru Roig, Miriam'
'Bolte, Michael'
_publ_section_title
;
 5,11,17,23-Tetranitro-25,26,27,28-tetrapentyloxycalix[4]arene
;
_journal_coeditor_code           LH6509
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o3526
_journal_page_last               o3528
_journal_paper_doi               10.1107/S1600536805030862
_journal_volume                  61
_journal_year                    2005
_chemical_formula_iupac          'C48 H60 N4 O12'
_chemical_formula_moiety         'C48 H60 N4 O12'
_chemical_formula_sum            'C48 H60 N4 O12'
_chemical_formula_weight         885.00
_chemical_name_systematic
;
5,11,17,23-Tetranitro-25,26,27,28-tetrapentyloxycalix[4]arene
;
_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
_cell_angle_alpha                90.00
_cell_angle_beta                 112.057(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   22.5587(11)
_cell_length_b                   11.8751(4)
_cell_length_c                   19.2336(11)
_cell_measurement_reflns_used    31383
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      25.2
_cell_measurement_theta_min      1.9
_cell_volume                     4775.3(4)
_computing_cell_refinement       X-AREA
_computing_data_collection       'X-AREA (Stoe & Cie, 2001)'
_computing_data_reduction        X-AREA
_computing_molecular_graphics
;
XP in SHELXTL-Plus (Sheldrick, 1991) and MERCURY (Version 1.4; Bruno et
al.,  2002)
;
_computing_publication_material  'SHELXL97 and PLATON (Spek, 2003)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Stoe IPDS-II two-circle'
_diffrn_measurement_method       ω
_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  0.0645
_diffrn_reflns_av_sigmaI/netI    0.0273
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            39302
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         26.38
_diffrn_reflns_theta_min         1.95
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.089
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            'light yellow'
_exptl_crystal_density_diffrn    1.231
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1888
_exptl_crystal_size_max          0.38
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.29
_refine_diff_density_max         0.714
_refine_diff_density_min         -0.872
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.068
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     289
_refine_ls_number_reflns         4859
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.068
_refine_ls_R_factor_all          0.0948
_refine_ls_R_factor_gt           0.0824
_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)+(0.1304P)²+6.4471P] where P = (Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2360
_refine_ls_wR_factor_ref         0.2472
_reflns_number_gt                3906
_reflns_number_total             4859
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            lh6509.cif
_cod_data_source_block           I
_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 

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_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2207016
_cod_database_fobs_code          2207016
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_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_type_symbol
C1 0.32765(12) 0.1913(3) 0.67257(16) 0.0509(6) Uani d . 1 C
H1A 0.3291 0.2734 0.6646 0.061 Uiso calc R 1 H
H1B 0.2835 0.1649 0.6444 0.061 Uiso calc R 1 H
C11 0.37390(11) 0.1311(2) 0.64399(14) 0.0445(6) Uani d . 1 C
C12 0.41166(11) 0.1901(2) 0.61240(13) 0.0435(6) Uani d . 1 C
C13 0.45786(11) 0.1359(2) 0.59221(13) 0.0417(5) Uani d . 1 C
C14 0.46319(12) 0.0192(2) 0.59983(14) 0.0464(6) Uani d . 1 C
H14 0.4936 -0.0202 0.5857 0.056 Uiso calc R 1 H
C15 0.42435(13) -0.0385(2) 0.62775(15) 0.0498(6) Uani d . 1 C
C16 0.38093(13) 0.0154(2) 0.65177(15) 0.0505(6) Uani d . 1 C
H16 0.3563 -0.0266 0.6733 0.061 Uiso calc R 1 H
O12 0.40590(8) 0.30550(15) 0.60494(11) 0.0500(5) Uani d . 1 O
C121 0.35507(14) 0.3428(3) 0.53705(17) 0.0618(8) Uani d . 1 C
H12A 0.3130 0.3195 0.5373 0.074 Uiso calc R 1 H
H12B 0.3603 0.3094 0.4925 0.074 Uiso calc R 1 H
C122 0.35903(16) 0.4697(3) 0.5347(2) 0.0676(9) Uani d . 1 C
H12C 0.4014 0.4916 0.5348 0.081 Uiso calc R 1 H
H12D 0.3550 0.5016 0.5803 0.081 Uiso calc R 1 H
C123 0.30686(16) 0.5185(3) 0.4656(2) 0.0777(11) Uani d . 1 C
H12E 0.3093 0.4820 0.4204 0.093 Uiso calc R 1 H
H12F 0.2647 0.4998 0.4674 0.093 Uiso calc R 1 H
C124 0.3111(2) 0.6451(4) 0.4579(4) 0.121(2) Uani d . 1 C
H12G 0.3069 0.6820 0.5020 0.145 Uiso calc R 1 H
H12H 0.3537 0.6643 0.4577 0.145 Uiso calc R 1 H
C125 0.2608(3) 0.6902(6) 0.3882(5) 0.183(4) Uani d . 1 C
H12I 0.2659 0.7719 0.3858 0.275 Uiso calc R 1 H
H12J 0.2184 0.6735 0.3887 0.275 Uiso calc R 1 H
H12K 0.2650 0.6548 0.3442 0.275 Uiso calc R 1 H
N15 0.42950(14) -0.1620(2) 0.63294(17) 0.0670(7) Uani d . 1 N
O151 0.40652(19) -0.2114(2) 0.6721(2) 0.1086(12) Uani d . 1 O
O152 0.45627(15) -0.2101(2) 0.59706(17) 0.0847(8) Uani d . 1 O
C2 0.50429(12) 0.2003(2) 0.56618(15) 0.0476(6) Uani d . 1 C
H2A 0.4970 0.1799 0.5137 0.057 Uiso calc R 1 H
H2B 0.4972 0.2823 0.5682 0.057 Uiso calc R 1 H
C21 0.57228(12) 0.1709(2) 0.61694(14) 0.0431(6) Uani d . 1 C
C22 0.59615(11) 0.2081(2) 0.69183(15) 0.0421(6) Uani d . 1 C
C23 0.65393(11) 0.1671(2) 0.74445(15) 0.0452(6) Uani d . 1 C
C24 0.69011(12) 0.0951(2) 0.71960(16) 0.0487(6) Uani d . 1 C
H24 0.7298 0.0671 0.7538 0.058 Uiso calc R 1 H
C25 0.66815(12) 0.0642(2) 0.64445(16) 0.0479(6) Uani d . 1 C
C26 0.60950(13) 0.0996(2) 0.59307(15) 0.0471(6) Uani d . 1 C
H26 0.5951 0.0754 0.5423 0.057 Uiso calc R 1 H
O22 0.55846(8) 0.27841(15) 0.71432(11) 0.0489(5) Uani d . 1 O
C221 0.58061(18) 0.3928(3) 0.7330(2) 0.0767(10) Uani d . 1 C
H22A 0.5601 0.4252 0.7658 0.092 Uiso calc R 1 H
H22B 0.6274 0.3917 0.7618 0.092 Uiso calc R 1 H
C222 0.5676(3) 0.4632(3) 0.6696(3) 0.0917(13) Uani d . 1 C
H22C 0.5209 0.4635 0.6405 0.110 Uiso calc R 1 H
H22D 0.5886 0.4313 0.6372 0.110 Uiso calc R 1 H
C223 0.5905(3) 0.5854(3) 0.6897(3) 0.0910(13) Uani d . 1 C
H22E 0.5594 0.6220 0.7076 0.109 Uiso calc R 1 H
H22F 0.6315 0.5814 0.7334 0.109 Uiso calc R 1 H
C224 0.5992(6) 0.6525(5) 0.6433(7) 0.238(6) Uani d . 1 C
H22G 0.5576 0.6584 0.6006 0.286 Uiso calc R 1 H
H22H 0.6287 0.6140 0.6238 0.286 Uiso calc R 1 H
C225 0.6240(3) 0.7722(4) 0.6620(4) 0.1162(18) Uani d . 1 C
H22I 0.6253 0.8086 0.6168 0.174 Uiso calc R 1 H
H22J 0.6672 0.7705 0.7008 0.174 Uiso calc R 1 H
H22K 0.5956 0.8147 0.6804 0.174 Uiso calc R 1 H
N25 0.70763(12) -0.0104(2) 0.61853(16) 0.0589(6) Uani d . 1 N
O251 0.68793(13) -0.0370(2) 0.55225(14) 0.0816(8) Uani d . 1 O
O252 0.75841(11) -0.0432(2) 0.66435(15) 0.0807(8) Uani d . 1 O
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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
C23 C1 C11 2_656 . 109.6(2)
C23 C1 H1A 2_656 . 109.7
C11 C1 H1A . . 109.7
C23 C1 H1B 2_656 . 109.8
C11 C1 H1B . . 109.7
H1A C1 H1B . . 108.2
C16 C11 C12 . . 118.6(2)
C16 C11 C1 . . 119.4(2)
C12 C11 C1 . . 121.9(2)
O12 C12 C13 . . 118.6(2)
O12 C12 C11 . . 119.5(2)
C13 C12 C11 . . 121.8(2)
C14 C13 C12 . . 118.2(2)
C14 C13 C2 . . 119.4(2)
C12 C13 C2 . . 122.4(2)
C15 C14 C13 . . 119.7(2)
C15 C14 H14 . . 120.1
C13 C14 H14 . . 120.1
C14 C15 C16 . . 122.4(3)
C14 C15 N15 . . 118.6(3)
C16 C15 N15 . . 119.0(2)
C11 C16 C15 . . 119.2(2)
C11 C16 H16 . . 120.4
C15 C16 H16 . . 120.4
C12 O12 C121 . . 114.2(2)
O12 C121 C122 . . 107.2(3)
O12 C121 H12A . . 110.3
C122 C121 H12A . . 110.3
O12 C121 H12B . . 110.3
C122 C121 H12B . . 110.3
H12A C121 H12B . . 108.5
C121 C122 C123 . . 111.8(3)
C121 C122 H12C . . 109.3
C123 C122 H12C . . 109.3
C121 C122 H12D . . 109.3
C123 C122 H12D . . 109.3
H12C C122 H12D . . 107.9
C124 C123 C122 . . 114.0(3)
C124 C123 H12E . . 108.8
C122 C123 H12E . . 108.8
C124 C123 H12F . . 108.8
C122 C123 H12F . . 108.8
H12E C123 H12F . . 107.7
C125 C124 C123 . . 112.9(5)
C125 C124 H12G . . 109.0
C123 C124 H12G . . 109.0
C125 C124 H12H . . 109.0
C123 C124 H12H . . 109.0
H12G C124 H12H . . 107.8
C124 C125 H12I . . 109.5
C124 C125 H12J . . 109.5
H12I C125 H12J . . 109.5
C124 C125 H12K . . 109.5
H12I C125 H12K . . 109.5
H12J C125 H12K . . 109.5
O151 N15 O152 . . 123.0(3)
O151 N15 C15 . . 118.8(3)
O152 N15 C15 . . 118.2(3)
C21 C2 C13 . . 109.0(2)
C21 C2 H2A . . 109.9
C13 C2 H2A . . 109.9
C21 C2 H2B . . 109.9
C13 C2 H2B . . 109.9
H2A C2 H2B . . 108.3
C26 C21 C22 . . 119.0(2)
C26 C21 C2 . . 121.3(2)
C22 C21 C2 . . 119.5(2)
O22 C22 C23 . . 120.1(2)
O22 C22 C21 . . 118.0(2)
C23 C22 C21 . . 121.6(2)
C24 C23 C22 . . 118.2(2)
C24 C23 C1 . 2_656 121.0(2)
C22 C23 C1 . 2_656 120.4(2)
C23 C24 C25 . . 119.7(2)
C23 C24 H24 . . 120.1
C25 C24 H24 . . 120.1
C26 C25 C24 . . 122.2(2)
C26 C25 N25 . . 118.6(2)
C24 C25 N25 . . 119.2(2)
C25 C26 C21 . . 118.9(2)
C25 C26 H26 . . 120.5
C21 C26 H26 . . 120.5
C22 O22 C221 . . 116.9(2)
C222 C221 O22 . . 113.6(3)
C222 C221 H22A . . 108.8
O22 C221 H22A . . 108.8
C222 C221 H22B . . 108.8
O22 C221 H22B . . 108.8
H22A C221 H22B . . 107.7
C221 C222 C223 . . 113.5(4)
C221 C222 H22C . . 108.9
C223 C222 H22C . . 108.9
C221 C222 H22D . . 108.9
C223 C222 H22D . . 108.9
H22C C222 H22D . . 107.7
C224 C223 C222 . . 122.8(6)
C224 C223 H22E . . 106.6
C222 C223 H22E . . 106.6
C224 C223 H22F . . 106.6
C222 C223 H22F . . 106.6
H22E C223 H22F . . 106.6
C223 C224 C225 . . 124.2(9)
C223 C224 H22G . . 106.3
C225 C224 H22G . . 106.3
C223 C224 H22H . . 106.3
C225 C224 H22H . . 106.3
H22G C224 H22H . . 106.4
C224 C225 H22I . . 109.5
C224 C225 H22J . . 109.5
H22I C225 H22J . . 109.5
C224 C225 H22K . . 109.5
H22I C225 H22K . . 109.5
H22J C225 H22K . . 109.5
O252 N25 O251 . . 123.1(3)
O252 N25 C25 . . 118.2(3)
O251 N25 C25 . . 118.7(2)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
C1 C23 2_656 1.518(4)
C1 C11 . 1.527(4)
C1 H1A . 0.9900
C1 H1B . 0.9900
C11 C16 . 1.385(4)
C11 C12 . 1.405(4)
C12 O12 . 1.379(3)
C12 C13 . 1.399(4)
C13 C14 . 1.393(4)
C13 C2 . 1.525(3)
C14 C15 . 1.371(4)
C14 H14 . 0.9500
C15 C16 . 1.386(4)
C15 N15 . 1.472(4)
C16 H16 . 0.9500
O12 C121 . 1.446(3)
C121 C122 . 1.511(5)
C121 H12A . 0.9900
C121 H12B . 0.9900
C122 C123 . 1.522(4)
C122 H12C . 0.9900
C122 H12D . 0.9900
C123 C124 . 1.517(6)
C123 H12E . 0.9900
C123 H12F . 0.9900
C124 C125 . 1.493(7)
C124 H12G . 0.9900
C124 H12H . 0.9900
C125 H12I . 0.9800
C125 H12J . 0.9800
C125 H12K . 0.9800
N15 O151 . 1.214(4)
N15 O152 . 1.216(4)
C2 C21 . 1.517(4)
C2 H2A . 0.9900
C2 H2B . 0.9900
C21 C26 . 1.386(4)
C21 C22 . 1.406(4)
C22 O22 . 1.373(3)
C22 C23 . 1.403(4)
C23 C24 . 1.385(4)
C23 C1 2_656 1.518(4)
C24 C25 . 1.390(4)
C24 H24 . 0.9500
C25 C26 . 1.386(4)
C25 N25 . 1.469(3)
C26 H26 . 0.9500
O22 C221 . 1.445(4)
C221 C222 . 1.414(6)
C221 H22A . 0.9900
C221 H22B . 0.9900
C222 C223 . 1.541(6)
C222 H22C . 0.9900
C222 H22D . 0.9900
C223 C224 . 1.267(8)
C223 H22E . 0.9900
C223 H22F . 0.9900
C224 C225 . 1.521(7)
C224 H22G . 0.9900
C224 H22H . 0.9900
C225 H22I . 0.9800
C225 H22J . 0.9800
C225 H22K . 0.9800
N25 O252 . 1.217(3)
N25 O251 . 1.223(3)
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_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
C23 C1 C11 C16 2_656 . . 57.5(3) ?
C23 C1 C11 C12 2_656 . . -120.1(3) y
C22 C23 C1 C11 2_656 2_656 . 66.6(3) y
C16 C11 C12 O12 . . . -179.3(2) ?
C1 C11 C12 O12 . . . -1.7(3) ?
C16 C11 C12 C13 . . . -3.1(4) ?
C1 C11 C12 C13 . . . 174.4(2) ?
O12 C12 C13 C14 . . . -179.9(2) ?
C11 C12 C13 C14 . . . 3.9(3) ?
O12 C12 C13 C2 . . . 3.3(3) ?
C11 C12 C13 C2 . . . -172.9(2) ?
C12 C13 C14 C15 . . . -1.1(4) ?
C2 C13 C14 C15 . . . 175.8(2) ?
C13 C14 C15 C16 . . . -2.5(4) ?
C13 C14 C15 N15 . . . 178.0(2) ?
C12 C11 C16 C15 . . . -0.5(4) ?
C1 C11 C16 C15 . . . -178.1(2) ?
C14 C15 C16 C11 . . . 3.4(4) ?
N15 C15 C16 C11 . . . -177.2(3) ?
C13 C12 O12 C121 . . . 98.2(3) ?
C11 C12 O12 C121 . . . -85.5(3) ?
C12 O12 C121 C122 . . . -175.4(2) ?
O12 C121 C122 C123 . . . -179.3(3) ?
C121 C122 C123 C124 . . . -176.4(4) ?
C122 C123 C124 C125 . . . 178.0(5) ?
C14 C15 N15 O151 . . . 163.8(3) ?
C16 C15 N15 O151 . . . -15.7(5) ?
C14 C15 N15 O152 . . . -16.8(4) ?
C16 C15 N15 O152 . . . 163.7(3) ?
C14 C13 C2 C21 . . . -54.1(3) ?
C12 C13 C2 C21 . . . 122.7(2) y
C13 C2 C21 C26 . . . 105.0(3) ?
C13 C2 C21 C22 . . . -69.1(3) y
C26 C21 C22 O22 . . . -179.9(2) ?
C2 C21 C22 O22 . . . -5.6(3) ?
C26 C21 C22 C23 . . . -5.8(4) ?
C2 C21 C22 C23 . . . 168.5(2) ?
O22 C22 C23 C24 . . . 179.2(2) ?
C21 C22 C23 C24 . . . 5.2(4) ?
O22 C22 C23 C1 . . 2_656 5.6(4) ?
C21 C22 C23 C1 . . 2_656 -168.4(2) ?
C22 C23 C24 C25 . . . -1.1(4) ?
C1 C23 C24 C25 2_656 . . 172.5(2) ?
C23 C24 C25 C26 . . . -2.4(4) ?
C23 C24 C25 N25 . . . 178.8(2) ?
C24 C25 C26 C21 . . . 1.8(4) ?
N25 C25 C26 C21 . . . -179.3(2) ?
C22 C21 C26 C25 . . . 2.2(4) ?
C2 C21 C26 C25 . . . -172.0(2) ?
C23 C22 O22 C221 . . . 73.3(3) ?
C21 C22 O22 C221 . . . -112.4(3) ?
C22 O22 C221 C222 . . . 80.1(4) ?
O22 C221 C222 C223 . . . 179.3(3) ?
C221 C222 C223 C224 . . . 160.5(7) ?
C222 C223 C224 C225 . . . -177.7(7) ?
C26 C25 N25 O252 . . . -178.4(3) ?
C24 C25 N25 O252 . . . 0.5(4) ?
C26 C25 N25 O251 . . . 1.3(4) ?
C24 C25 N25 O251 . . . -179.8(3) ?
