#------------------------------------------------------------------------------
#$Date: 2016-02-20 05:06:23 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176774 $
#$URL: svn://www.crystallography.net/cod/cif/2/20/63/2206358.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_2206358
loop_
_publ_author_name
'K. Ravikumar'
'B. Sridhar'
'S. G. Manjunath'
'Saji Thomas'
_publ_section_title
;
 Risperidone N-oxide hydrogen peroxide methanol solvate
;
_journal_coeditor_code           BT6696
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o2515
_journal_page_last               o2517
_journal_paper_doi               10.1107/S1600536805022002
_journal_volume                  61
_journal_year                    2005
_chemical_formula_iupac          'C23 H27 F N4 O3, H2 O2, C H4 O'
_chemical_formula_moiety         'C23 H27 F N4 O3, H2 O2, C H4 O'
_chemical_formula_sum            'C24 H33 F N4 O6'
_chemical_formula_weight         492.54
_chemical_name_systematic
;4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-hydroxy-1-[2-(2-methyl-4-oxo-3,4,6,7,8,9-
hexahydro-2H-pyrido[1,2-a]pyrimidin-3-yl)ethyl]piperidine
 N-oxide
;
_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                 105.503(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   37.007(4)
_cell_length_b                   7.7558(8)
_cell_length_c                   17.214(2)
_cell_measurement_reflns_used    5217
_cell_measurement_temperature    273(2)
_cell_measurement_theta_max      27.57
_cell_measurement_theta_min      2.28
_cell_volume                     4761.0(9)
_computing_cell_refinement       'SAINT (Bruker, 2001)'
_computing_data_collection       'SMART (Bruker, 2001)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'SHELXTL/PC (Sheldrick, 1990)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      273(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device       'Bruker SMART APEX CCD area-detector'
_diffrn_measurement_device_type  'CCD Area Detector'
_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  0.0226
_diffrn_reflns_av_sigmaI/netI    0.0270
_diffrn_reflns_limit_h_max       43
_diffrn_reflns_limit_h_min       -43
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            11481
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.14
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.104
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.374
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2096
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.548
_refine_diff_density_min         -0.297
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.076
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     319
_refine_ls_number_reflns         4173
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.076
_refine_ls_R_factor_all          0.0628
_refine_ls_R_factor_gt           0.0540
_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)+(0.0833P)²+3.9805P] where P = (Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1443
_refine_ls_wR_factor_ref         0.1564
_reflns_number_gt                3527
_reflns_number_total             4173
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            bt6696.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2206358
_cod_database_fobs_code          2206358
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
F1 0.05732(5) -0.2528(3) 0.61966(11) 0.0854(5) Uani d . 1 F
N9 0.11080(5) -0.0385(3) 0.34716(12) 0.0550(5) Uani d . 1 N
N14 0.24427(4) 0.0466(2) 0.36609(10) 0.0334(4) Uani d . 1 N
N21 0.39705(5) 0.0779(2) 0.55131(10) 0.0391(4) Uani d . 1 N
N23 0.41260(5) 0.1516(3) 0.43295(11) 0.0444(5) Uani d . 1 N
O8 0.07856(4) -0.1103(3) 0.36670(10) 0.0602(5) Uani d . 1 O
O26 0.33793(4) -0.0069(2) 0.54912(10) 0.0558(5) Uani d . 1 O
O31 0.23610(4) -0.08224(17) 0.30736(8) 0.0373(3) Uani d . 1 O
C2 0.07801(7) -0.1871(4) 0.57235(17) 0.0580(7) Uani d . 1 C
C3 0.11343(8) -0.1259(4) 0.61081(16) 0.0619(7) Uani d . 1 C
H3 0.1218 -0.1282 0.6668 0.074 Uiso calc R 1 H
C4 0.13623(7) -0.0618(3) 0.56632(15) 0.0520(6) Uani d . 1 C
H4 0.1601 -0.0200 0.5911 0.062 Uiso calc R 1 H
C5 0.12228(6) -0.0618(3) 0.48269(13) 0.0419(5) Uani d . 1 C
C6 0.08660(6) -0.1225(3) 0.44779(14) 0.0473(5) Uani d . 1 C
C7 0.06290(7) -0.1887(3) 0.49147(17) 0.0570(7) Uani d . 1 C
H7 0.0389 -0.2300 0.4673 0.068 Uiso calc R 1 H
C10 0.13571(6) -0.0117(3) 0.41488(13) 0.0408(5) Uani d . 1 C
C11 0.17402(6) 0.0558(3) 0.41650(13) 0.0392(5) Uani d . 1 C
H11 0.1800 0.1490 0.4563 0.047 Uiso calc R 1 H
C12 0.17683(6) 0.1280(3) 0.33627(13) 0.0421(5) Uani d . 1 C
H12A 0.1699 0.0394 0.2952 0.050 Uiso calc R 1 H
H12B 0.1594 0.2232 0.3206 0.050 Uiso calc R 1 H
C13 0.21620(6) 0.1899(3) 0.34152(13) 0.0393(5) Uani d . 1 C
H13A 0.2172 0.2348 0.2895 0.047 Uiso calc R 1 H
H13B 0.2226 0.2829 0.3805 0.047 Uiso calc R 1 H
C15 0.24204(6) -0.0238(3) 0.44605(12) 0.0387(5) Uani d . 1 C
H15A 0.2494 0.0655 0.4867 0.046 Uiso calc R 1 H
H15B 0.2596 -0.1185 0.4614 0.046 Uiso calc R 1 H
C16 0.20317(6) -0.0867(3) 0.44422(13) 0.0397(5) Uani d . 1 C
H16A 0.2029 -0.1252 0.4977 0.048 Uiso calc R 1 H
H16B 0.1968 -0.1843 0.4079 0.048 Uiso calc R 1 H
C17 0.28291(6) 0.1173(3) 0.37267(14) 0.0411(5) Uani d . 1 C
H17A 0.2901 0.1916 0.4196 0.049 Uiso calc R 1 H
H17B 0.2821 0.1873 0.3255 0.049 Uiso calc R 1 H
C18 0.31266(6) -0.0217(3) 0.37966(14) 0.0431(5) Uani d . 1 C
H18A 0.3062 -0.1205 0.4079 0.052 Uiso calc R 1 H
H18B 0.3130 -0.0591 0.3261 0.052 Uiso calc R 1 H
C19 0.35113(6) 0.0426(3) 0.42420(13) 0.0387(5) Uani d . 1 C
C20 0.35987(6) 0.0343(3) 0.51026(13) 0.0393(5) Uani d . 1 C
C22 0.42157(6) 0.1366(3) 0.51068(13) 0.0390(5) Uani d . 1 C
C24 0.37724(6) 0.1046(3) 0.38878(13) 0.0430(5) Uani d . 1 C
C25 0.37055(8) 0.1255(5) 0.29964(15) 0.0727(9) Uani d . 1 C
H25A 0.3792 0.0245 0.2777 0.109 Uiso calc R 1 H
H25B 0.3840 0.2246 0.2888 0.109 Uiso calc R 1 H
H25C 0.3442 0.1408 0.2752 0.109 Uiso calc R 1 H
C27 0.40726(7) 0.0559(3) 0.63976(13) 0.0503(6) Uani d . 1 C
H27A 0.3965 -0.0508 0.6526 0.060 Uiso calc R 1 H
H27B 0.3965 0.1498 0.6634 0.060 Uiso calc R 1 H
C28 0.44907(7) 0.0521(4) 0.67688(15) 0.0629(7) Uani d . 1 C
H28A 0.4543 0.0597 0.7351 0.076 Uiso calc R 1 H
H28B 0.4592 -0.0562 0.6638 0.076 Uiso calc R 1 H
C29 0.46758(7) 0.1980(4) 0.64647(15) 0.0639(7) Uani d . 1 C
H29A 0.4943 0.1965 0.6723 0.077 Uiso calc R 1 H
H29B 0.4575 0.3065 0.6594 0.077 Uiso calc R 1 H
C30 0.46092(6) 0.1823(4) 0.55679(14) 0.0529(6) Uani d . 1 C
H30A 0.4777 0.0951 0.5460 0.064 Uiso calc R 1 H
H30B 0.4675 0.2910 0.5363 0.064 Uiso calc R 1 H
O32 0.47741(6) 0.1987(3) 0.37247(14) 0.0868(7) Uani d . 1 O
H32 0.4588 0.1769 0.3880 0.130 Uiso calc R 1 H
C33 0.47294(10) 0.3566(6) 0.3344(3) 0.1040(13) Uani d . 1 C
H33A 0.4732 0.4459 0.3732 0.156 Uiso calc R 1 H
H33B 0.4494 0.3589 0.2938 0.156 Uiso calc R 1 H
H33C 0.4930 0.3751 0.3099 0.156 Uiso calc R 1 H
O34 0.27444(5) -0.4626(2) 0.34180(10) 0.0590(5) Uani d . 1 O
H34 0.2733 -0.4960 0.2960 0.089 Uiso calc R 1 H
O35 0.23793(6) -0.4112(2) 0.34625(13) 0.0659(5) Uani d . 1 O
H35 0.2348 -0.3086 0.3350 0.099 Uiso calc R 1 H
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'
F F 0.0171 0.0103 '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_publ_flag
C10 N9 O8 106.70(18) y
O31 N14 C13 109.02(14) y
O31 N14 C15 110.43(14) y
C13 N14 C15 108.86(15) y
O31 N14 C17 109.41(14) y
C13 N14 C17 108.81(15) y
C15 N14 C17 110.27(15) y
C22 N21 C20 121.14(17) ?
C22 N21 C27 123.05(18) ?
C20 N21 C27 115.81(17) ?
C22 N23 C24 119.40(18) y
C6 O8 N9 107.58(16) ?
C7 C2 F1 118.0(2) ?
C7 C2 C3 124.9(2) ?
F1 C2 C3 117.1(2) ?
C4 C3 C2 120.1(2) ?
C4 C3 H3 120.0 ?
C2 C3 H3 120.0 ?
C3 C4 C5 117.5(2) ?
C3 C4 H4 121.2 ?
C5 C4 H4 121.2 ?
C6 C5 C4 119.8(2) ?
C6 C5 C10 103.70(19) ?
C4 C5 C10 136.5(2) ?
O8 C6 C5 110.3(2) ?
O8 C6 C7 125.9(2) ?
C5 C6 C7 123.8(2) ?
C2 C7 C6 113.8(2) ?
C2 C7 H7 123.1 ?
C6 C7 H7 123.1 ?
N9 C10 C5 111.7(2) ?
N9 C10 C11 120.9(2) ?
C5 C10 C11 127.37(19) ?
C10 C11 C12 113.86(17) ?
C10 C11 C16 109.68(18) ?
C12 C11 C16 109.63(17) ?
C10 C11 H11 107.8 ?
C12 C11 H11 107.8 ?
C16 C11 H11 107.8 ?
C13 C12 C11 111.19(17) ?
C13 C12 H12A 109.4 ?
C11 C12 H12A 109.4 ?
C13 C12 H12B 109.4 ?
C11 C12 H12B 109.4 ?
H12A C12 H12B 108.0 ?
N14 C13 C12 111.33(16) ?
N14 C13 H13A 109.4 ?
C12 C13 H13A 109.4 ?
N14 C13 H13B 109.4 ?
C12 C13 H13B 109.4 ?
H13A C13 H13B 108.0 ?
N14 C15 C16 112.52(16) ?
N14 C15 H15A 109.1 ?
C16 C15 H15A 109.1 ?
N14 C15 H15B 109.1 ?
C16 C15 H15B 109.1 ?
H15A C15 H15B 107.8 ?
C15 C16 C11 111.18(18) ?
C15 C16 H16A 109.4 ?
C11 C16 H16A 109.4 ?
C15 C16 H16B 109.4 ?
C11 C16 H16B 109.4 ?
H16A C16 H16B 108.0 ?
N14 C17 C18 113.56(17) y
N14 C17 H17A 108.9 ?
C18 C17 H17A 108.9 ?
N14 C17 H17B 108.9 ?
C18 C17 H17B 108.9 ?
H17A C17 H17B 107.7 ?
C19 C18 C17 111.71(18) y
C19 C18 H18A 109.3 ?
C17 C18 H18A 109.3 ?
C19 C18 H18B 109.3 ?
C17 C18 H18B 109.3 ?
H18A C18 H18B 107.9 ?
C24 C19 C20 119.25(19) ?
C24 C19 C18 125.1(2) ?
C20 C19 C18 115.63(18) ?
O26 C20 N21 119.3(2) ?
O26 C20 C19 125.3(2) ?
N21 C20 C19 115.37(17) ?
N23 C22 N21 122.55(19) ?
N23 C22 C30 117.98(18) ?
N21 C22 C30 119.45(19) ?
C19 C24 N23 122.0(2) ?
C19 C24 C25 123.7(2) ?
N23 C24 C25 114.25(19) ?
C24 C25 H25A 109.5 ?
C24 C25 H25B 109.5 ?
H25A C25 H25B 109.5 ?
C24 C25 H25C 109.5 ?
H25A C25 H25C 109.5 ?
H25B C25 H25C 109.5 ?
N21 C27 C28 112.93(18) ?
N21 C27 H27A 109.0 ?
C28 C27 H27A 109.0 ?
N21 C27 H27B 109.0 ?
C28 C27 H27B 109.0 ?
H27A C27 H27B 107.8 ?
C29 C28 C27 110.6(2) ?
C29 C28 H28A 109.5 ?
C27 C28 H28A 109.5 ?
C29 C28 H28B 109.5 ?
C27 C28 H28B 109.5 ?
H28A C28 H28B 108.1 ?
C28 C29 C30 109.6(2) ?
C28 C29 H29A 109.8 ?
C30 C29 H29A 109.8 ?
C28 C29 H29B 109.8 ?
C30 C29 H29B 109.8 ?
H29A C29 H29B 108.2 ?
C29 C30 C22 115.57(19) ?
C29 C30 H30A 108.4 ?
C22 C30 H30A 108.4 ?
C29 C30 H30B 108.4 ?
C22 C30 H30B 108.4 ?
H30A C30 H30B 107.4 ?
C33 O32 H32 109.5 ?
O32 C33 H33A 109.5 ?
O32 C33 H33B 109.5 ?
H33A C33 H33B 109.5 ?
O32 C33 H33C 109.5 ?
H33A C33 H33C 109.5 ?
H33B C33 H33C 109.5 ?
O35 O34 H34 109.5 ?
O34 O35 H35 109.5 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
F1 C2 1.357(3) ?
N9 C10 1.295(3) ?
N9 O8 1.436(3) y
N14 O31 1.396(2) ?
N14 C13 1.503(3) y
N14 C15 1.503(3) y
N14 C17 1.507(3) y
N21 C22 1.364(3) ?
N21 C20 1.410(3) ?
N21 C27 1.477(3) y
N23 C22 1.295(3) y
N23 C24 1.375(3) y
O8 C6 1.351(3) ?
O26 C20 1.224(2) y
C2 C7 1.355(4) ?
C2 C3 1.385(4) ?
C3 C4 1.375(3) ?
C3 H3 0.9300 ?
C4 C5 1.393(3) ?
C4 H4 0.9300 ?
C5 C6 1.379(3) ?
C5 C10 1.439(3) ?
C6 C7 1.396(3) ?
C7 H7 0.9300 ?
C10 C11 1.505(3) y
C11 C12 1.519(3) ?
C11 C16 1.529(3) ?
C11 H11 0.9800 ?
C12 C13 1.514(3) ?
C12 H12A 0.9700 ?
C12 H12B 0.9700 ?
C13 H13A 0.9700 ?
C13 H13B 0.9700 ?
C15 C16 1.511(3) ?
C15 H15A 0.9700 ?
C15 H15B 0.9700 ?
C16 H16A 0.9700 ?
C16 H16B 0.9700 ?
C17 C18 1.522(3) ?
C17 H17A 0.9700 ?
C17 H17B 0.9700 ?
C18 C19 1.510(3) ?
C18 H18A 0.9700 ?
C18 H18B 0.9700 ?
C19 C24 1.361(3) ?
C19 C20 1.431(3) ?
C22 C30 1.503(3) ?
C24 C25 1.496(3) ?
C25 H25A 0.9600 ?
C25 H25B 0.9600 ?
C25 H25C 0.9600 ?
C27 C28 1.508(3) ?
C27 H27A 0.9700 ?
C27 H27B 0.9700 ?
C28 C29 1.489(4) ?
C28 H28A 0.9700 ?
C28 H28B 0.9700 ?
C29 C30 1.502(3) ?
C29 H29A 0.9700 ?
C29 H29B 0.9700 ?
C30 H30A 0.9700 ?
C30 H30B 0.9700 ?
O32 C33 1.378(4) y
O32 H32 0.8200 ?
C33 H33A 0.9600 ?
C33 H33B 0.9600 ?
C33 H33C 0.9600 ?
O34 O35 1.430(3) y
O34 H34 0.8200 ?
O35 H35 0.8200 ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
O32 H32 N23 . 0.82 2.07 2.882(3) 173
O34 H34 O31 4_545 0.82 1.84 2.659(2) 172
O35 H35 O31 . 0.82 1.82 2.634(2) 170
C4 H4 O34 7_546 0.93 2.39 3.267(3) 156
C7 H7 O32 3_445 0.93 2.48 3.392(3) 166
C13 H13B O35 1_565 0.97 2.54 3.192(3) 124
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_publ_flag
C10 N9 O8 C6 -0.1(3) ?
C7 C2 C3 C4 -0.5(5) ?
F1 C2 C3 C4 178.3(2) ?
C2 C3 C4 C5 -0.1(4) ?
C3 C4 C5 C6 0.9(3) ?
C3 C4 C5 C10 -179.0(3) ?
N9 O8 C6 C5 0.3(3) ?
N9 O8 C6 C7 -178.9(2) ?
C4 C5 C6 O8 179.7(2) ?
C10 C5 C6 O8 -0.4(2) ?
C4 C5 C6 C7 -1.1(4) ?
C10 C5 C6 C7 178.8(2) ?
F1 C2 C7 C6 -178.5(2) ?
C3 C2 C7 C6 0.4(4) ?
O8 C6 C7 C2 179.6(2) ?
C5 C6 C7 C2 0.5(4) ?
O8 N9 C10 C5 -0.2(3) ?
O8 N9 C10 C11 177.09(18) ?
C6 C5 C10 N9 0.4(3) ?
C4 C5 C10 N9 -179.7(3) ?
C6 C5 C10 C11 -176.7(2) ?
C4 C5 C10 C11 3.2(4) ?
N9 C10 C11 C12 14.1(3) ?
C5 C10 C11 C12 -169.1(2) ?
N9 C10 C11 C16 -109.2(2) ?
C5 C10 C11 C16 67.6(3) ?
C10 C11 C12 C13 -178.73(17) ?
C16 C11 C12 C13 -55.4(2) ?
O31 N14 C13 C12 62.4(2) ?
C15 N14 C13 C12 -58.1(2) ?
C17 N14 C13 C12 -178.32(17) ?
C11 C12 C13 N14 58.8(2) ?
O31 N14 C15 C16 -62.4(2) y
C13 N14 C15 C16 57.2(2) ?
C17 N14 C15 C16 176.52(17) ?
N14 C15 C16 C11 -56.2(2) ?
C10 C11 C16 C15 179.61(17) ?
C12 C11 C16 C15 53.9(2) ?
O31 N14 C17 C18 -48.7(2) y
C13 N14 C17 C18 -167.74(17) ?
C15 N14 C17 C18 72.9(2) ?
N14 C17 C18 C19 -152.77(18) ?
C17 C18 C19 C24 -96.5(3) ?
C17 C18 C19 C20 84.0(2) ?
C22 N21 C20 O26 -175.1(2) ?
C27 N21 C20 O26 4.8(3) ?
C22 N21 C20 C19 5.0(3) ?
C27 N21 C20 C19 -175.12(18) ?
C24 C19 C20 O26 174.4(2) ?
C18 C19 C20 O26 -6.1(3) ?
C24 C19 C20 N21 -5.7(3) ?
C18 C19 C20 N21 173.83(18) ?
C24 N23 C22 N21 -0.9(3) ?
C24 N23 C22 C30 177.6(2) ?
C20 N21 C22 N23 -1.8(3) ?
C27 N21 C22 N23 178.3(2) ?
C20 N21 C22 C30 179.8(2) ?
C27 N21 C22 C30 -0.1(3) ?
C20 C19 C24 N23 3.4(3) ?
C18 C19 C24 N23 -176.0(2) y
C20 C19 C24 C25 -177.5(2) ?
C18 C19 C24 C25 3.1(4) ?
C22 N23 C24 C19 0.0(3) ?
C22 N23 C24 C25 -179.1(2) ?
C22 N21 C27 C28 -17.4(3) ?
C20 N21 C27 C28 162.7(2) ?
N21 C27 C28 C29 48.4(3) ?
C27 C28 C29 C30 -61.5(3) ?
C28 C29 C30 C22 44.1(3) ?
N23 C22 C30 C29 167.9(2) ?
N21 C22 C30 C29 -13.6(3) ?
