#------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/01/18/2011888.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_2011888
loop_
_publ_author_name
'Gzella, Andrzej'
'Wrzeciono, Urszula'
'Pöppel, Wolfram'
_publ_section_title
;
 Azole. 45. Über 2,4-Dinitrophenylhydrazone von
 Morpholinonitroimidazolderivaten
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              462
_journal_page_last               466
_journal_paper_doi               10.1107/S0108270101000270
_journal_volume                  57
_journal_year                    2001
_chemical_formula_moiety         'C20 H25 N9 O8'
_chemical_formula_sum            'C20 H25 N9 O8'
_chemical_formula_weight         519.49
_chemical_name_systematic
;
(Z)-1-(4-morpholino-5-nitroimidazol-1-yl)-3-morpholinopropan-2-one
2,4-dinitrophenylhydrazone
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_method           SHELXL97
_cell_angle_alpha                111.282(8)
_cell_angle_beta                 106.037(7)
_cell_angle_gamma                90.735(6)
_cell_formula_units_Z            2
_cell_length_a                   8.0664(6)
_cell_length_b                   12.3698(10)
_cell_length_c                   13.2280(13)
_cell_measurement_reflns_used    38
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      32.2
_cell_measurement_theta_min      11.4
_cell_volume                     1172.55(19)
_computing_cell_refinement       'KM-4 Software'
_computing_data_collection       'KM-4 Software (Kuma Diffraction, 1991)'
_computing_data_reduction        'KM-4 Software'
_computing_molecular_graphics    'ORTEP3 for Windows (Farrugia, 1997)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full .944
_diffrn_measured_fraction_theta_max .944
_diffrn_measurement_device_type  'Kuma KM-4'
_diffrn_measurement_method       ω/2θ
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  .006
_diffrn_reflns_av_sigmaI/netI    .016
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            4407
_diffrn_reflns_theta_full        70.12
_diffrn_reflns_theta_max         70.12
_diffrn_reflns_theta_min         3.76
_diffrn_standards_decay_%        1.5
_diffrn_standards_interval_count 100
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    .990
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            orange-brown
_exptl_crystal_density_diffrn    1.471
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             544
_exptl_crystal_size_max          .52
_exptl_crystal_size_mid          .22
_exptl_crystal_size_min          .16
_refine_diff_density_max         .17
_refine_diff_density_min         -.16
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_hydrogen_treatment    refall
_refine_ls_matrix_type           full
_refine_ls_number_parameters     434
_refine_ls_number_reflns         4205
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.037
_refine_ls_R_factor_all          .045
_refine_ls_R_factor_gt           .036
_refine_ls_shift/su_max          <0.001
_refine_ls_shift/su_mean         .000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[σ²(Fo²)+(0.0491P)²+0.3977P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         .106
_reflns_number_gt                3575
_reflns_number_total             4205
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            jz1436.cif
_cod_data_source_block           Va
_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 1527 2010-12-29 10:47:43Z saulius 

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_values 1715 2011-07-08 13:25:40Z adriana 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc w =
1/[\s^2^(Fo^2^)+(0.0491P)^2^+0.3977P] where P=(Fo^2^+2Fc^2^)/3' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to 'w =
1/[\s^2^(Fo^2^)+(0.0491P)^2^+0.3977P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        1172.55(13)
_cod_database_code               2011888
_cod_database_fobs_code          2011888
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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_disorder_assembly
_atom_site_disorder_group
_atom_site_type_symbol
N1 .73219(17) 1.07067(11) .30647(11) .0394(3) Uani d . 1 . . N
C2 .6685(2) 1.11499(15) .22835(15) .0463(4) Uani d . 1 . . C
N3 .67492(19) 1.22982(12) .26953(12) .0460(3) Uani d . 1 . . N
C4 .75053(19) 1.26521(14) .38352(13) .0389(3) Uani d . 1 . . C
C5 .79154(19) 1.16700(14) .40960(13) .0385(3) Uani d . 1 . . C
C6 .7411(2) .94624(14) .28057(15) .0422(4) Uani d . 1 . . C
C7 .5930(2) .88658(14) .29834(13) .0393(3) Uani d . 1 . . C
C8 .4642(2) .95597(15) .34888(14) .0425(4) Uani d . 1 . . C
N9 .56507(18) .77586(12) .26820(12) .0436(3) Uani d . 1 . . N
N10 .67787(19) .70925(12) .21650(12) .0440(3) Uani d . 1 . . N
C11 .6358(2) .59151(14) .17102(13) .0385(3) Uani d . 1 . . C
C12 .7496(2) .51144(14) .13154(13) .0401(4) Uani d . 1 . . C
C13 .7023(2) .39187(15) .08657(14) .0427(4) Uani d . 1 . . C
C14 .5388(2) .34943(14) .07772(13) .0417(4) Uani d . 1 . . C
C15 .4218(2) .42414(15) .11317(15) .0440(4) Uani d . 1 . . C
C16 .4690(2) .54187(15) .15885(15) .0430(4) Uani d . 1 . . C
N17 .92190(19) .55118(14) .13470(13) .0515(4) Uani d . 1 . . N
O18 .9583(2) .65417(13) .15356(15) .0784(5) Uani d . 1 . . O
O19 1.02297(19) .47958(15) .11587(17) .0819(5) Uani d . 1 . . O
N20 .4870(2) .22401(13) .02960(12) .0509(4) Uani d . 1 . . N
O21 .5888(2) .15919(12) -.00444(13) .0696(4) Uani d . 1 . . O
O22 .3422(2) .18844(13) .02456(15) .0751(4) Uani d . 1 . . O
N23 .34041(16) .98898(12) .26465(12) .0418(3) Uani d . 1 . . N
C24 .2622(3) 1.09188(16) .31848(18) .0537(5) Uani d . 1 . . C
C25 .1331(3) 1.1214(2) .2287(2) .0688(6) Uani d . 1 . . C
O26 .00152(17) 1.02646(14) .15767(13) .0710(4) Uani d . 1 . . O
C27 .0784(3) .9277(2) .1037(2) .0696(6) Uani d . 1 . . C
C28 .2033(2) .89255(17) .19029(16) .0516(4) Uani d . 1 . . C
N29 .77156(18) 1.38129(12) .45242(12) .0429(3) Uani d . 1 . . N
C30 .7001(3) 1.45843(15) .39385(16) .0483(4) Uani d . 1 . . C
C31 .7593(3) 1.58446(17) .47139(19) .0587(5) Uani d . 1 . . C
O32 .71433(18) 1.61231(11) .57372(12) .0631(4) Uani d . 1 . . O
C33 .7967(3) 1.54175(19) .63176(18) .0642(5) Uani d . 1 . . C
C34 .7386(3) 1.41346(18) .56284(16) .0542(5) Uani d . 1 . . C
N35 .88102(17) 1.15388(13) .50996(12) .0458(3) Uani d . 1 . . N
O36 .97978(18) 1.23815(13) .58793(12) .0681(4) Uani d . 1 . . O
O37 .85794(18) 1.05837(12) .51830(11) .0586(3) Uani d . 1 . . O
H2A .621(3) 1.0625(18) .1504(18) .060(6) Uiso d . 1 . . H
H6A .739(2) .9113(15) .2004(16) .044(5) Uiso d . 1 . . H
H6B .854(3) .9345(17) .3272(17) .055(5) Uiso d . 1 . . H
H8A .404(2) .9072(16) .3772(15) .046(5) Uiso d . 1 . . H
H8B .525(2) 1.0270(16) .4113(16) .044(5) Uiso d . 1 . . H
H10A .787(3) .738(2) .227(2) .074(7) Uiso d . 1 . . H
H13A .784(3) .3422(16) .0594(16) .052(5) Uiso d . 1 . . H
H15A .304(3) .3929(17) .1039(17) .056(5) Uiso d . 1 . . H
H16A .392(3) .5946(17) .1850(17) .057(5) Uiso d . 1 . . H
H24A .352(3) 1.156(2) .3630(19) .070(6) Uiso d . 1 . . H
H24B .202(3) 1.0778(18) .3721(18) .061(6) Uiso d . 1 . . H
H25A .192(3) 1.140(2) .183(2) .084(8) Uiso d . 1 . . H
H25B .081(4) 1.189(2) .264(2) .093(8) Uiso d . 1 . . H
H27A .144(3) .950(2) .062(2) .071(7) Uiso d . 1 . . H
H27B -.018(4) .864(2) .057(2) .093(8) Uiso d . 1 . . H
H28A .251(3) .8224(17) .1480(17) .056(5) Uiso d . 1 . . H
H28B .141(3) .8710(18) .2378(19) .065(6) Uiso d . 1 . . H
H30A .743(3) 1.4382(16) .3261(17) .052(5) Uiso d . 1 . . H
H30B .573(3) 1.4442(17) .3670(17) .058(6) Uiso d . 1 . . H
H31A .886(3) 1.6000(19) .4900(19) .070(6) Uiso d . 1 . . H
H31B .697(3) 1.6353(19) .4332(18) .066(6) Uiso d . 1 . . H
H33A .762(3) 1.563(2) .702(2) .084(7) Uiso d . 1 . . H
H33B .926(3) 1.557(2) .653(2) .075(7) Uiso d . 1 . . H
H34A .801(3) 1.367(2) .604(2) .072(7) Uiso d . 1 . . H
H34B .609(3) 1.3981(18) .5514(18) .064(6) Uiso d . 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 .0181 .0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H .0000 .0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N .0311 .0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O .0492 .0322 '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
C2 N1 C5 105.40(13) yes
C2 N1 C6 123.78(14) ?
C5 N1 C6 130.74(13) ?
N3 C2 N1 114.14(15) yes
N3 C2 H2A 127.1(12) ?
N1 C2 H2A 118.7(12) ?
C2 N3 C4 105.76(14) yes
N3 C4 N29 120.30(14) ?
N3 C4 C5 108.80(14) yes
N29 C4 C5 130.88(15) ?
N35 C5 N1 121.31(14) ?
N35 C5 C4 132.72(15) ?
N1 C5 C4 105.85(13) yes
N1 C6 C7 113.23(13) ?
N1 C6 H6A 106.2(10) ?
C7 C6 H6A 110.2(10) ?
N1 C6 H6B 110.0(11) ?
C7 C6 H6B 109.8(11) ?
H6A C6 H6B 107.2(15) ?
N9 C7 C8 115.96(14) ?
N9 C7 C6 123.18(14) ?
C8 C7 C6 120.80(14) ?
N23 C8 C7 110.63(13) ?
N23 C8 H8A 111.5(11) ?
C7 C8 H8A 107.8(10) ?
N23 C8 H8B 107.9(11) ?
C7 C8 H8B 109.1(11) ?
H8A C8 H8B 110.0(15) ?
C7 N9 N10 117.09(14) ?
C11 N10 N9 117.25(14) ?
C11 N10 H10A 118.3(15) ?
N9 N10 H10A 122.6(15) ?
N10 C11 C16 120.13(15) ?
N10 C11 C12 123.81(15) ?
C16 C11 C12 116.05(15) ?
C13 C12 C11 122.04(15) ?
C13 C12 N17 116.41(14) ?
C11 C12 N17 121.54(15) ?
C14 C13 C12 118.94(15) ?
C14 C13 H13A 122.9(11) ?
C12 C13 H13A 118.1(11) ?
C13 C14 C15 121.17(15) ?
C13 C14 N20 119.44(15) ?
C15 C14 N20 119.39(15) ?
C16 C15 C14 119.94(16) ?
C16 C15 H15A 119.7(12) ?
C14 C15 H15A 120.4(12) ?
C15 C16 C11 121.83(15) ?
C15 C16 H16A 121.4(12) ?
C11 C16 H16A 116.8(12) ?
O19 N17 O18 122.64(16) ?
O19 N17 C12 118.43(16) ?
O18 N17 C12 118.90(15) ?
O21 N20 O22 122.90(16) ?
O21 N20 C14 118.91(16) ?
O22 N20 C14 118.19(15) ?
C28 N23 C8 110.78(14) ?
C28 N23 C24 109.26(14) ?
C8 N23 C24 111.65(14) ?
N23 C24 C25 109.88(18) ?
N23 C24 H24A 108.8(14) ?
C25 C24 H24A 109.9(13) ?
N23 C24 H24B 110.8(12) ?
C25 C24 H24B 110.0(12) ?
H24A C24 H24B 107.4(18) ?
O26 C25 C24 111.46(18) ?
O26 C25 H25A 108.7(16) ?
C24 C25 H25A 108.9(16) ?
O26 C25 H25B 109.6(16) ?
C24 C25 H25B 110.1(16) ?
H25A C25 H25B 108(2) ?
C25 O26 C27 109.50(17) ?
O26 C27 C28 110.72(18) ?
O26 C27 H27A 108.0(14) ?
C28 C27 H27A 107.2(14) ?
O26 C27 H27B 106.2(15) ?
C28 C27 H27B 109.6(16) ?
H27A C27 H27B 115(2) ?
N23 C28 C27 110.01(18) ?
N23 C28 H28A 111.7(12) ?
C27 C28 H28A 107.3(11) ?
N23 C28 H28B 109.0(12) ?
C27 C28 H28B 110.2(12) ?
H28A C28 H28B 108.5(17) ?
C4 N29 C30 114.86(14) ?
C4 N29 C34 118.69(14) ?
C30 N29 C34 112.13(15) ?
N29 C30 C31 110.52(16) ?
N29 C30 H30A 106.8(11) ?
C31 C30 H30A 110.8(11) ?
N29 C30 H30B 110.7(12) ?
C31 C30 H30B 110.0(12) ?
H30A C30 H30B 108.0(16) ?
O32 C31 C30 111.64(16) ?
O32 C31 H31A 109.2(13) ?
C30 C31 H31A 109.2(13) ?
O32 C31 H31B 105.8(12) ?
C30 C31 H31B 109.0(13) ?
H31A C31 H31B 112.1(18) ?
C33 O32 C31 108.87(16) ?
O32 C33 C34 112.06(17) ?
O32 C33 H33A 106.4(15) ?
C34 C33 H33A 108.4(15) ?
O32 C33 H33B 111.4(13) ?
C34 C33 H33B 109.2(13) ?
H33A C33 H33B 109(2) ?
N29 C34 C33 109.72(17) ?
N29 C34 H34A 109.7(14) ?
C33 C34 H34A 110.3(14) ?
N29 C34 H34B 110.3(12) ?
C33 C34 H34B 108.1(12) ?
H34A C34 H34B 108.7(18) ?
O36 N35 O37 122.36(15) ?
O36 N35 C5 118.72(15) ?
O37 N35 C5 118.91(14) ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
N1 C2 . 1.326(2) yes
N1 C5 . 1.398(2) yes
N1 C6 . 1.458(2) ?
C2 N3 . 1.318(2) yes
C2 H2A . .96(2) ?
N3 C4 . 1.358(2) yes
C4 N29 . 1.371(2) yes
C4 C5 . 1.398(2) yes
C5 N35 . 1.393(2) yes
C6 C7 . 1.511(2) ?
C6 H6A . .985(19) ?
C6 H6B . 1.00(2) ?
C7 N9 . 1.277(2) yes
C7 C8 . 1.501(2) ?
C8 N23 . 1.460(2) yes
C8 H8A . .997(19) ?
C8 H8B . .966(18) ?
N9 N10 . 1.3887(19) yes
N10 C11 . 1.355(2) yes
N10 H10A . .90(2) ?
C11 C16 . 1.414(2) ?
C11 C12 . 1.418(2) ?
C12 C13 . 1.382(2) ?
C12 N17 . 1.453(2) yes
C13 C14 . 1.372(2) ?
C13 H13A . .96(2) ?
C14 C15 . 1.385(2) ?
C14 N20 . 1.451(2) yes
C15 C16 . 1.361(2) ?
C15 H15A . .98(2) ?
C16 H16A . .95(2) ?
N17 O19 . 1.217(2) ?
N17 O18 . 1.221(2) ?
N20 O21 . 1.216(2) ?
N20 O22 . 1.218(2) ?
N23 C28 . 1.459(2) ?
N23 C24 . 1.462(2) ?
C24 C25 . 1.507(3) ?
C24 H24A . .95(2) ?
C24 H24B . 1.02(2) ?
C25 O26 . 1.416(3) ?
C25 H25A . .95(3) ?
C25 H25B . .97(3) ?
O26 C27 . 1.421(3) ?
C27 C28 . 1.500(3) ?
C27 H27A . .96(2) ?
C27 H27B . .99(3) ?
C28 H28A . .99(2) ?
C28 H28B . 1.01(2) ?
N29 C30 . 1.465(2) ?
N29 C34 . 1.469(2) ?
C30 C31 . 1.503(3) ?
C30 H30A . 1.00(2) ?
C30 H30B . .98(2) ?
C31 O32 . 1.421(3) ?
C31 H31A . .98(2) ?
C31 H31B . 1.00(2) ?
O32 C33 . 1.419(3) ?
C33 C34 . 1.505(3) ?
C33 H33A . .99(3) ?
C33 H33B . 1.00(2) ?
C34 H34A . .98(2) ?
C34 H34B . 1.02(2) ?
N35 O36 . 1.2366(19) ?
N35 O37 . 1.2421(19) ?
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
_geom_hbond_publ_flag
N10 H10A O18 . .90(2) 2.00(2) 2.635(2) 127(2) yes
N10 H10A O36 2_776 .90(2) 2.56(2) 3.087(2) 118.6(18) yes
C15 H15A O19 1_455 .98(2) 2.54(2) 3.305(2) 134.9(15) yes
C27 H27B O22 2_565 .99(3) 2.51(3) 3.373(3) 146(2) yes
C34 H34A O36 . .98(2) 2.16(2) 2.979(3) 140.7(19) yes
C6 H6B O37 . 1.00(2) 2.425(19) 2.804(2) 101.8(13) .
C13 H13A O19 . .96(2) 2.315(18) 2.662(2) 100.4(13) .
C16 H16A N9 . .95(2) 2.339(19) 2.712(2) 102.8(14) .
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
C5 N1 C2 N3 -1.9(2)
C6 N1 C2 N3 -179.00(15)
N1 C2 N3 C4 .8(2)
C2 N3 C4 N29 -177.97(15)
C2 N3 C4 C5 .67(18)
C2 N1 C5 N35 -174.39(15)
C6 N1 C5 N35 2.4(2)
C2 N1 C5 C4 2.16(17)
C6 N1 C5 C4 178.97(15)
N3 C4 C5 N35 174.22(16)
N29 C4 C5 N35 -7.3(3)
N3 C4 C5 N1 -1.78(17)
N29 C4 C5 N1 176.67(16)
C2 N1 C6 C7 -98.34(19)
C5 N1 C6 C7 85.4(2)
N1 C6 C7 N9 171.61(15)
N1 C6 C7 C8 -5.6(2)
N9 C7 C8 N23 -100.75(17)
C6 C7 C8 N23 76.68(19)
C8 C7 N9 N10 177.17(14)
C6 C7 N9 N10 -.2(2)
C7 N9 N10 C11 -171.55(14)
N9 N10 C11 C16 11.3(2)
N9 N10 C11 C12 -169.78(14)
N10 C11 C12 C13 179.44(15)
C16 C11 C12 C13 -1.6(2)
N10 C11 C12 N17 -1.5(2)
C16 C11 C12 N17 177.38(14)
C11 C12 C13 C14 1.4(2)
N17 C12 C13 C14 -177.71(14)
C12 C13 C14 C15 -.1(2)
C12 C13 C14 N20 179.41(14)
C13 C14 C15 C16 -.7(3)
N20 C14 C15 C16 179.73(15)
C14 C15 C16 C11 .4(3)
N10 C11 C16 C15 179.73(15)
C12 C11 C16 C15 .8(2)
C13 C12 N17 O19 -11.7(2)
C11 C12 N17 O19 169.18(17)
C13 C12 N17 O18 166.65(17)
C11 C12 N17 O18 -12.4(3)
C13 C14 N20 O21 -1.7(2)
C15 C14 N20 O21 177.81(16)
C13 C14 N20 O22 178.69(16)
C15 C14 N20 O22 -1.8(2)
C7 C8 N23 C28 81.26(17)
C7 C8 N23 C24 -156.72(15)
C28 N23 C24 C25 -56.0(2)
C8 N23 C24 C25 -178.92(16)
N23 C24 C25 O26 57.9(2)
C24 C25 O26 C27 -59.3(3)
C25 O26 C27 C28 59.9(3)
C8 N23 C28 C27 -179.45(15)
C24 N23 C28 C27 57.1(2)
O26 C27 C28 N23 -59.6(2)
N3 C4 N29 C30 2.6(2)
C5 C4 N29 C30 -175.67(16)
N3 C4 N29 C34 139.26(17)
C5 C4 N29 C34 -39.0(3)
C4 N29 C30 C31 -169.12(15)
C34 N29 C30 C31 51.4(2)
N29 C30 C31 O32 -56.2(2)
C30 C31 O32 C33 60.7(2)
C31 O32 C33 C34 -61.4(2)
C4 N29 C34 C33 170.89(16)
C30 N29 C34 C33 -51.4(2)
O32 C33 C34 N29 56.8(2)
N1 C5 N35 O36 155.78(15)
C4 C5 N35 O36 -19.7(3)
N1 C5 N35 O37 -24.7(2)
C4 C5 N35 O37 159.78(17)
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 ChemSpider 21182168
2 PubChem 101109733
