##############################################################################
#                                                                            #
# This CIF contains the data in a paper accepted for publication in          #
# Acta Crystallographica Section E. It conforms to the requirements of       #
# Notes for Authors for Acta Crystallographica Section E, and has been       #
# peer reviewed under the auspices of the IUCr Commission on Journals.       #
#                                                                            #
# Full details of the Crystallographic Information File format               #
# are given in the paper "The Crystallographic Information File (CIF):       #
# a New Standard Archive File for Crystallography" by S. R. Hall, F. H.      #
# Allen and I. D. Brown [Acta Cryst. (1991), A47, 655-685].                  #
#                                                                            #
# The current version of the core CIF dictionary is obtainable from          #
# ftp://ftp.iucr.org/pub/cif_core.dic.                                       #
#                                                                            #
# Software is freely available for graphical display of the structure(s)     #
# in this CIF. For information consult the CIF software page                 #
# http://www.iucr.org/resources/cif/software.                                #
#                                                                            #
# This file may be used for bona fide research purposes within the           #
# scientific community so long as proper attribution is given to the journal # 
# article from which it was obtained.                                        #
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##############################################################################
data_I
_audit_creation_method     'SHELXL-2018/3'
_journal_date_recd_electronic     2020-11-02
_journal_date_accepted     2020-12-07
_journal_name_full     'Acta Crystallographica, Section E'
_journal_year     2021
_journal_volume     77
_journal_issue      1
_journal_page_first     28
_journal_page_last     33
_journal_paper_category     GO
_journal_paper_doi     10.1107/S2056989020015960
_journal_coeditor_code     WM5588
_publ_contact_author_name     'Abdulmalik Abudunia'
_publ_contact_author_address
;
Department of Pharmacology, Faculty of Clinical Pharmacy, University of Medical
and Applied Sciences,
Yemen
;
_publ_contact_author_email
                      'abdulmalikabudunia@gmail.com, cemle28baydere@hotmail.com'
_publ_contact_author_fax     ?
_publ_contact_author_phone     ?
_publ_section_title
;
Crystal structure, Hirshfeld surface analysis, DFT and molecular docking
investigation of 2-(2-oxo-1,3-oxazolidin-3-yl)ethyl
2-[2-(2-oxo-1,3-oxazolidin-3-yl)ethoxy]quinoline-4-carboxylate
;
_publ_section_title_footnote     .
loop_
    _publ_author_name
    _publ_author_footnote
    _publ_author_address
    'Bouzian, Younos' .
;
Laboratory of Heterocyclic Organic Chemistry URAC 21, Pole of Competence,
Pharmacochemistry, Av Ibn Battouta, BP 1014, Faculty of Sciences, Mohammed V,
University, Rabat,
Morocco
;
    'Baydere, Cemile' .
;
Department of Physics
Faculty of Arts and Sciences
Ondokuz Mayıs University
55139-Samsun
Turkey
;
    'Dege, Necmi' .
;
Department of Physics
Faculty of Arts and Sciences
Ondokuz Mayıs University
55139-Samsun
Turkey
;
    'Ahabchane, Noureddine Hamou' .
;
Laboratory of Heterocyclic Organic Chemistry URAC 21, Pole of Competence,
Pharmacochemistry, Av Ibn Battouta, BP 1014, Faculty of Sciences, Mohammed V,
University, Rabat,
Morocco
;
    'Mague, Joel T.' .
;
Department of Chemistry, Tulane University, New Orleans, LA 70118,
USA
;
    'Abudunia, Abdulmalik' .
;
Department of Pharmacology, Faculty of Clinical Pharmacy,
University of Medical and Applied Sciences,
Yemen
;
    'Karrouchi, Khalid' .
;
Laboratory of analytical Chemistry and Bromatology,
Faculty of Medicine and Pharmacy,
Mohammed V University, Rabat
Morocco
;
    'Essassi, El Mokhtar' .
;
Laboratory of Heterocyclic Organic Chemistry URAC 21, Pole of Competence,
Pharmacochemistry, Av Ibn Battouta, BP 1014, Faculty of Sciences, Mohammed V,
University, Rabat,
Morocco
;
_publ_section_synopsis
;
In the crystal of the title compound, corrugated layers of molecules extending
along the ab plane are generated by C---H...O hydrogen bonds.
;
_chemical_name_systematic
;
2-(2-Oxo-1,3-oxazolidin-3-yl)ethyl
2-[2-(2-oxo-1,3-oxazolidin-3-yl)ethoxy]quinoline-4-carboxylate
;
_chemical_name_common     ?
_chemical_formula_moiety     'C20 H21 N3 O7'
_chemical_formula_sum     'C20 H21 N3 O7'
_chemical_formula_iupac     'C20 H21 N3 O7'
_chemical_formula_weight     415.40
_chemical_melting_point     ?
_space_group_crystal_system     monoclinic
_space_group_name_H-M_alt     'P 21/c'
_space_group_name_Hall     '-P 2ybc'
loop_
    _space_group_symop_operation_xyz
    'x, y, z'
    '-x, y+1/2, -z+1/2'
    '-x, -y, -z'
    'x, -y-1/2, z-1/2'
_cell_length_a     6.0686(5)
_cell_length_b     19.2791(15)
_cell_length_c     16.3795(13)
_cell_angle_alpha     90
_cell_angle_beta     94.185(4)
_cell_angle_gamma     90
_cell_volume     1911.2(3)
_cell_formula_units_Z     4
_cell_measurement_reflns_used     9277
_cell_measurement_theta_min     3.5463
_cell_measurement_theta_max     72.2535
_cell_measurement_temperature     150(2)
_exptl_crystal_description     column
_exptl_crystal_colour     colourless
_exptl_crystal_size_max     0.231
_exptl_crystal_size_mid     0.075
_exptl_crystal_size_min     0.050
_exptl_crystal_density_diffrn     1.444
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     ?
_exptl_crystal_F_000     872
_exptl_absorpt_coefficient_mu     0.933
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details
;
(SADABS; Krause et al., 2015)
;
_exptl_absorpt_correction_T_min     ?
_exptl_absorpt_correction_T_max     ?
_diffrn_ambient_temperature     150(2)
_diffrn_source     'INCOATEC I\mS micro--focus source'
_diffrn_radiation_type     CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_measurement_device_type     'Bruker D8 VENTURE PHOTON 100 CMOS'
_diffrn_measurement_method     'ω scans'
_diffrn_detector_area_resol_mean     10.4167
_diffrn_reflns_number     14512
_diffrn_reflns_av_R_equivalents     0.0423
_diffrn_reflns_av_unetI/netI     0.0361
_diffrn_reflns_theta_min     3.546
_diffrn_reflns_theta_max     72.246
_diffrn_reflns_theta_full     68.000
_diffrn_measured_fraction_theta_max     0.982
_diffrn_measured_fraction_theta_full     0.989
_diffrn_reflns_limit_h_min     -7
_diffrn_reflns_limit_h_max     6
_diffrn_reflns_limit_k_min     -21
_diffrn_reflns_limit_k_max     23
_diffrn_reflns_limit_l_min     -20
_diffrn_reflns_limit_l_max     18
_refine_special_details     ?
_reflns_number_total     3711
_reflns_number_gt     3072
_reflns_threshold_expression     'I > 2σ(I)'
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.0486
_refine_ls_R_factor_gt     0.0377
_refine_ls_wR_factor_gt     0.0864
_refine_ls_wR_factor_ref     0.0937
_refine_ls_goodness_of_fit_ref     1.045
_refine_ls_restrained_S_all     1.045
_refine_ls_number_reflns     3711
_refine_ls_number_parameters     356
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment     refall
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
              'w=1/[σ²(Fo²)+(0.0346P)²+0.6581P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens     difmap
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary     ?
_refine_ls_shift/su_max     0.000
_refine_ls_shift/su_mean     0.000
_refine_diff_density_max     0.218
_refine_diff_density_min     -0.194
_refine_ls_extinction_method
;
SHELXL-2018/3 (Sheldrick 2015b)
;
_refine_ls_extinction_coef     0.0026(2)
_refine_ls_extinction_expression
                                  'Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^'
loop_
    _atom_type_symbol
    _atom_type_description
    _atom_type_scat_dispersion_real
    _atom_type_scat_dispersion_imag
    _atom_type_scat_source
    'C' 'C' 0.0181 0.0091
                         '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' 0.0311 0.0180
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'O' 'O' 0.0492 0.0322
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_computing_data_collection
;
APEX3 (Bruker, 2016)
;
_computing_cell_refinement
;
SAINT (Bruker, 2016)
;
_computing_data_reduction
;
SAINT (Bruker, 2016)
;
_computing_structure_solution
;
SHELXT (Sheldrick, 2015a)
;
_computing_structure_refinement
;
SHELXL2018/1 (Sheldrick, 2015b)
;
_computing_molecular_graphics
;
Mercury (Macrae et al.,  2020) and PLATON (Spek, 2020)
;
_computing_publication_material
;
publCIF (Westrip, 2010)
;
loop_
    _atom_site_type_symbol
    _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_occupancy
    _atom_site_disorder_assembly
    _atom_site_disorder_group
    O O1 0.37759(18) 0.21379(5) 0.57549(6) 0.0312(3) Uani d 1 . .
    O O2 0.7629(2) 0.08767(7) 0.44369(8) 0.0493(3) Uani d 1 . .
    O O3 0.7633(2) 0.07204(8) 0.57987(8) 0.0506(3) Uani d 1 . .
    O O4 1.1362(2) 0.34395(7) 0.75827(7) 0.0530(4) Uani d 1 . .
    O O5 1.07647(17) 0.32859(5) 0.62287(6) 0.0297(2) Uani d 1 . .
    O O6 0.68920(19) 0.45136(7) 0.59441(7) 0.0426(3) Uani d 1 . .
    O O7 0.76696(19) 0.50976(7) 0.71190(7) 0.0410(3) Uani d 1 . .
    N N1 0.4550(2) 0.18848(6) 0.71212(8) 0.0307(3) Uani d 1 . .
    N N2 0.4425(2) 0.08645(7) 0.49889(8) 0.0292(3) Uani d 1 . .
    N N3 1.0450(2) 0.48184(6) 0.63804(8) 0.0284(3) Uani d 1 . .
    C C1 0.7992(3) 0.23409(7) 0.78094(9) 0.0275(3) Uani d 1 . .
    C C2 0.9438(3) 0.23392(9) 0.85269(10) 0.0355(4) Uani d 1 . .
    C C3 0.8913(3) 0.19732(9) 0.92045(10) 0.0410(4) Uani d 1 . .
    C C4 0.6930(3) 0.16004(9) 0.92016(10) 0.0409(4) Uani d 1 . .
    C C5 0.5501(3) 0.15931(9) 0.85188(10) 0.0367(4) Uani d 1 . .
    C C6 0.6007(3) 0.19519(8) 0.78029(9) 0.0295(3) Uani d 1 . .
    C C7 0.5068(2) 0.21938(7) 0.64584(9) 0.0273(3) Uani d 1 . .
    C C8 0.6967(3) 0.26216(7) 0.63962(9) 0.0270(3) Uani d 1 . .
    C C9 0.8405(3) 0.27009(7) 0.70638(9) 0.0263(3) Uani d 1 . .
    C C10 0.2011(3) 0.16344(8) 0.57237(10) 0.0316(3) Uani d 1 . .
    C C11 0.2925(3) 0.09066(8) 0.56362(10) 0.0296(3) Uani d 1 . .
    C C12 0.6613(3) 0.08141(8) 0.51449(10) 0.0343(4) Uani d 1 . .
    C C13 0.5965(4) 0.09582(12) 0.37669(12) 0.0521(5) Uani d 1 . .
    C C14 0.3811(4) 0.10463(13) 0.41522(11) 0.0503(5) Uani d 1 . .
    C C15 1.0341(3) 0.31748(8) 0.70093(9) 0.0296(3) Uani d 1 . .
    C C16 1.2533(3) 0.37628(8) 0.60659(10) 0.0307(3) Uani d 1 . .
    C C17 1.1579(3) 0.44476(8) 0.57658(10) 0.0305(3) Uani d 1 . .
    C C18 0.8247(2) 0.47778(8) 0.64262(9) 0.0293(3) Uani d 1 . .
    C C19 0.9624(4) 0.54073(12) 0.75294(14) 0.0536(5) Uani d 1 . .
    C C20 1.1552(3) 0.50923(9) 0.71305(11) 0.0368(4) Uani d 1 . .
    H H2 1.087(3) 0.2562(10) 0.8534(10) 0.035(5) Uiso d 1 . .
    H H3 0.995(4) 0.1973(11) 0.9668(13) 0.051(6) Uiso d 1 . .
    H H4 0.662(3) 0.1323(10) 0.9671(12) 0.044(5) Uiso d 1 . .
    H H5 0.409(3) 0.1320(10) 0.8502(12) 0.047(5) Uiso d 1 . .
    H H8 0.718(3) 0.2863(9) 0.5880(11) 0.031(4) Uiso d 1 . .
    H H10A 0.104(3) 0.1775(9) 0.5222(11) 0.033(4) Uiso d 1 . .
    H H10B 0.116(3) 0.1663(9) 0.6224(11) 0.034(4) Uiso d 1 . .
    H H11A 0.158(3) 0.0587(9) 0.5522(11) 0.037(5) Uiso d 1 . .
    H H11B 0.378(3) 0.0759(9) 0.6148(11) 0.034(5) Uiso d 1 . .
    H H13A 0.593(5) 0.0502(15) 0.3426(16) 0.084(8) Uiso d 1 . .
    H H13B 0.637(5) 0.1344(15) 0.3451(17) 0.087(9) Uiso d 1 . .
    H H14A 0.267(5) 0.0739(14) 0.3906(16) 0.075(8) Uiso d 1 . .
    H H14B 0.331(5) 0.1581(17) 0.4123(17) 0.099(10) Uiso d 1 . .
    H H16A 1.355(3) 0.3820(9) 0.6562(11) 0.031(4) Uiso d 1 . .
    H H16B 1.332(3) 0.3535(9) 0.5624(11) 0.035(5) Uiso d 1 . .
    H H17A 1.281(3) 0.4738(10) 0.5615(12) 0.044(5) Uiso d 1 . .
    H H17B 1.047(3) 0.4375(9) 0.5297(11) 0.029(4) Uiso d 1 . .
    H H19A 0.942(5) 0.5932(16) 0.7433(17) 0.092(9) Uiso d 1 . .
    H H19B 0.962(4) 0.5331(13) 0.8072(17) 0.073(8) Uiso d 1 . .
    H H20A 1.268(4) 0.5440(13) 0.6998(15) 0.068(7) Uiso d 1 . .
    H H20B 1.224(3) 0.4711(11) 0.7450(12) 0.048(5) Uiso d 1 . .
_geom_special_details
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
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
    O1 C7 . 1.3499(18) ?
    O1 C10 . 1.4437(19) ?
    O2 C12 . 1.358(2) ?
    O2 C13 . 1.445(3) ?
    O3 C12 . 1.211(2) ?
    O4 C15 . 1.2006(19) ?
    O5 C15 . 1.3396(18) ?
    O5 C16 . 1.4526(18) ?
    O6 C18 . 1.2100(19) ?
    O7 C18 . 1.3596(19) ?
    O7 C19 . 1.449(2) ?
    N1 C7 . 1.2969(19) ?
    N1 C6 . 1.379(2) ?
    N2 C12 . 1.338(2) ?
    N2 C14 . 1.437(2) ?
    N2 C11 . 1.449(2) ?
    N3 C18 . 1.347(2) ?
    N3 C17 . 1.447(2) ?
    N3 C20 . 1.455(2) ?
    C1 C2 . 1.415(2) ?
    C1 C6 . 1.418(2) ?
    C1 C9 . 1.443(2) ?
    C2 C3 . 1.372(2) ?
    C2 H2 . 0.969(19) ?
    C3 C4 . 1.401(3) ?
    C3 H3 . 0.95(2) ?
    C4 C5 . 1.364(3) ?
    C4 H4 . 0.97(2) ?
    C5 C6 . 1.414(2) ?
    C5 H5 . 1.00(2) ?
    C7 C8 . 1.427(2) ?
    C8 C9 . 1.357(2) ?
    C8 H8 . 0.982(18) ?
    C9 C15 . 1.496(2) ?
    C10 C11 . 1.519(2) ?
    C10 H10A . 1.013(18) ?
    C10 H10B . 1.001(19) ?
    C11 H11A . 1.026(19) ?
    C11 H11B . 0.994(19) ?
    C13 C14 . 1.502(3) ?
    C13 H13A . 1.04(3) ?
    C13 H13B . 0.95(3) ?
    C14 H14A . 0.98(3) ?
    C14 H14B . 1.08(3) ?
    C16 C17 . 1.509(2) ?
    C16 H16A . 0.992(18) ?
    C16 H16B . 0.997(18) ?
    C17 H17A . 0.98(2) ?
    C17 H17B . 0.992(18) ?
    C19 C20 . 1.509(3) ?
    C19 H19A . 1.03(3) ?
    C19 H19B . 0.90(3) ?
    C20 H20A . 0.99(3) ?
    C20 H20B . 0.98(2) ?
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
    _geom_angle_publ_flag
    C7 O1 C10 . . 117.84(12) ?
    C12 O2 C13 . . 108.82(14) ?
    C15 O5 C16 . . 118.18(12) ?
    C18 O7 C19 . . 108.80(13) ?
    C7 N1 C6 . . 117.04(13) ?
    C12 N2 C14 . . 112.61(15) ?
    C12 N2 C11 . . 122.16(13) ?
    C14 N2 C11 . . 123.44(14) ?
    C18 N3 C17 . . 122.17(13) ?
    C18 N3 C20 . . 111.80(13) ?
    C17 N3 C20 . . 123.69(13) ?
    C2 C1 C6 . . 118.71(14) ?
    C2 C1 C9 . . 124.65(14) ?
    C6 C1 C9 . . 116.63(14) ?
    C3 C2 C1 . . 120.43(16) ?
    C3 C2 H2 . . 118.6(11) ?
    C1 C2 H2 . . 120.8(10) ?
    C2 C3 C4 . . 120.73(17) ?
    C2 C3 H3 . . 117.8(13) ?
    C4 C3 H3 . . 121.5(13) ?
    C5 C4 C3 . . 120.16(15) ?
    C5 C4 H4 . . 119.7(12) ?
    C3 C4 H4 . . 120.0(12) ?
    C4 C5 C6 . . 120.75(16) ?
    C4 C5 H5 . . 121.2(11) ?
    C6 C5 H5 . . 118.0(11) ?
    N1 C6 C5 . . 117.43(15) ?
    N1 C6 C1 . . 123.35(13) ?
    C5 C6 C1 . . 119.20(15) ?
    N1 C7 O1 . . 121.12(14) ?
    N1 C7 C8 . . 124.86(14) ?
    O1 C7 C8 . . 114.01(13) ?
    C9 C8 C7 . . 118.89(14) ?
    C9 C8 H8 . . 121.5(10) ?
    C7 C8 H8 . . 119.6(10) ?
    C8 C9 C1 . . 119.10(14) ?
    C8 C9 C15 . . 118.85(13) ?
    C1 C9 C15 . . 122.03(13) ?
    O1 C10 C11 . . 110.45(12) ?
    O1 C10 H10A . . 103.6(10) ?
    C11 C10 H10A . . 111.5(10) ?
    O1 C10 H10B . . 111.0(10) ?
    C11 C10 H10B . . 110.0(10) ?
    H10A C10 H10B . . 110.3(14) ?
    N2 C11 C10 . . 111.95(13) ?
    N2 C11 H11A . . 111.4(10) ?
    C10 C11 H11A . . 106.3(10) ?
    N2 C11 H11B . . 106.5(11) ?
    C10 C11 H11B . . 110.9(11) ?
    H11A C11 H11B . . 109.8(15) ?
    O3 C12 N2 . . 128.04(16) ?
    O3 C12 O2 . . 122.28(15) ?
    N2 C12 O2 . . 109.68(14) ?
    O2 C13 C14 . . 105.94(15) ?
    O2 C13 H13A . . 107.6(15) ?
    C14 C13 H13A . . 109.5(16) ?
    O2 C13 H13B . . 107.9(17) ?
    C14 C13 H13B . . 114.0(18) ?
    H13A C13 H13B . . 112(2) ?
    N2 C14 C13 . . 101.55(16) ?
    N2 C14 H14A . . 111.9(15) ?
    C13 C14 H14A . . 111.7(16) ?
    N2 C14 H14B . . 109.2(15) ?
    C13 C14 H14B . . 110.1(16) ?
    H14A C14 H14B . . 112(2) ?
    O4 C15 O5 . . 123.69(14) ?
    O4 C15 C9 . . 125.14(14) ?
    O5 C15 C9 . . 111.15(13) ?
    O5 C16 C17 . . 110.03(13) ?
    O5 C16 H16A . . 110.2(10) ?
    C17 C16 H16A . . 111.8(10) ?
    O5 C16 H16B . . 104.6(11) ?
    C17 C16 H16B . . 110.0(10) ?
    H16A C16 H16B . . 109.9(15) ?
    N3 C17 C16 . . 113.29(13) ?
    N3 C17 H17A . . 107.6(12) ?
    C16 C17 H17A . . 107.4(12) ?
    N3 C17 H17B . . 106.3(10) ?
    C16 C17 H17B . . 110.5(10) ?
    H17A C17 H17B . . 111.9(15) ?
    O6 C18 N3 . . 128.17(15) ?
    O6 C18 O7 . . 122.10(14) ?
    N3 C18 O7 . . 109.72(13) ?
    O7 C19 C20 . . 105.53(14) ?
    O7 C19 H19A . . 104.5(16) ?
    C20 C19 H19A . . 114.5(17) ?
    O7 C19 H19B . . 109.2(17) ?
    C20 C19 H19B . . 114.8(17) ?
    H19A C19 H19B . . 108(2) ?
    N3 C20 C19 . . 100.86(14) ?
    N3 C20 H20A . . 110.0(14) ?
    C19 C20 H20A . . 113.2(14) ?
    N3 C20 H20B . . 109.4(12) ?
    C19 C20 H20B . . 112.7(12) ?
    H20A C20 H20B . . 110.3(18) ?
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_3
    _geom_torsion_site_symmetry_4
    _geom_torsion
    _geom_torsion_publ_flag
    C6 C1 C2 C3 . . . . -0.7(2) ?
    C9 C1 C2 C3 . . . . -179.17(16) ?
    C1 C2 C3 C4 . . . . -0.6(3) ?
    C2 C3 C4 C5 . . . . 0.5(3) ?
    C3 C4 C5 C6 . . . . 0.8(3) ?
    C7 N1 C6 C5 . . . . -177.44(14) ?
    C7 N1 C6 C1 . . . . 0.5(2) ?
    C4 C5 C6 N1 . . . . 175.98(15) ?
    C4 C5 C6 C1 . . . . -2.1(2) ?
    C2 C1 C6 N1 . . . . -175.98(14) ?
    C9 C1 C6 N1 . . . . 2.7(2) ?
    C2 C1 C6 C5 . . . . 2.0(2) ?
    C9 C1 C6 C5 . . . . -179.41(13) ?
    C6 N1 C7 O1 . . . . 177.84(13) ?
    C6 N1 C7 C8 . . . . -3.2(2) ?
    C10 O1 C7 N1 . . . . -10.2(2) ?
    C10 O1 C7 C8 . . . . 170.70(13) ?
    N1 C7 C8 C9 . . . . 2.4(2) ?
    O1 C7 C8 C9 . . . . -178.56(13) ?
    C7 C8 C9 C1 . . . . 1.1(2) ?
    C7 C8 C9 C15 . . . . -177.26(13) ?
    C2 C1 C9 C8 . . . . 175.18(15) ?
    C6 C1 C9 C8 . . . . -3.4(2) ?
    C2 C1 C9 C15 . . . . -6.5(2) ?
    C6 C1 C9 C15 . . . . 174.97(13) ?
    C7 O1 C10 C11 . . . . -75.87(16) ?
    C12 N2 C11 C10 . . . . 105.84(17) ?
    C14 N2 C11 C10 . . . . -57.8(2) ?
    O1 C10 C11 N2 . . . . -48.92(18) ?
    C14 N2 C12 O3 . . . . 174.08(19) ?
    C11 N2 C12 O3 . . . . 8.8(3) ?
    C14 N2 C12 O2 . . . . -6.6(2) ?
    C11 N2 C12 O2 . . . . -171.89(13) ?
    C13 O2 C12 O3 . . . . 177.93(17) ?
    C13 O2 C12 N2 . . . . -1.40(19) ?
    C12 O2 C13 C14 . . . . 8.3(2) ?
    C12 N2 C14 C13 . . . . 11.2(2) ?
    C11 N2 C14 C13 . . . . 176.20(15) ?
    O2 C13 C14 N2 . . . . -11.2(2) ?
    C16 O5 C15 O4 . . . . -1.1(2) ?
    C16 O5 C15 C9 . . . . 177.08(12) ?
    C8 C9 C15 O4 . . . . 158.27(17) ?
    C1 C9 C15 O4 . . . . -20.1(2) ?
    C8 C9 C15 O5 . . . . -19.91(19) ?
    C1 C9 C15 O5 . . . . 161.75(13) ?
    C15 O5 C16 C17 . . . . -103.49(15) ?
    C18 N3 C17 C16 . . . . -95.85(17) ?
    C20 N3 C17 C16 . . . . 65.35(19) ?
    O5 C16 C17 N3 . . . . 66.50(17) ?
    C17 N3 C18 O6 . . . . -9.0(3) ?
    C20 N3 C18 O6 . . . . -172.23(16) ?
    C17 N3 C18 O7 . . . . 171.83(13) ?
    C20 N3 C18 O7 . . . . 8.61(18) ?
    C19 O7 C18 O6 . . . . -175.41(17) ?
    C19 O7 C18 N3 . . . . 3.81(19) ?
    C18 O7 C19 C20 . . . . -13.9(2) ?
    C18 N3 C20 C19 . . . . -16.32(19) ?
    C17 N3 C20 C19 . . . . -179.25(16) ?
    O7 C19 C20 N3 . . . . 17.5(2) ?
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
    C2 H2 O4 . 0.969(19) 2.335(18) 2.919(2) 118.1(13) yes
    C20 H20B O4 . 0.98(2) 2.52(2) 3.275(2) 133.7(15) yes
    C11 H11A O3 1_455 1.026(19) 2.486(19) 3.262(2) 131.8(13) yes
    C17 H17A O6 1_655 0.98(2) 2.53(2) 3.219(2) 127.0(15) yes
    C19 H19B O3 2_756 0.90(3) 2.51(3) 3.157(2) 129(2) yes
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_T_min     0.813
_shelx_estimated_absorpt_T_max     0.955
