#------------------------------------------------------------------------------
#$Date: 2020-04-04 02:30:04 +0300 (Sat, 04 Apr 2020) $
#$Revision: 250021 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/03/81/4038181.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_4038181
loop_
_publ_author_name
'Chao, Tung'
'Su, Zhe-Hong'
'Yen, Ko-Wang'
'Wu, Ming-Jung'
'Chu, Jean-Ho'
_publ_section_title
;
 Synthesis of Dibenzosuberones Bearing an Isoxazole Group via
 Palladium-Catalyzed Intramolecular C-H/C-Br Bond Cross-Coupling of
 Ortho-Aroylated 3,5-Diarylisoxazoles.
;
_journal_name_full               'The Journal of organic chemistry'
_journal_paper_doi               10.1021/acs.joc.0c00346
_journal_year                    2020
_chemical_formula_moiety         'C22 H13 N O2'
_chemical_formula_sum            'C22 H13 N O2'
_chemical_formula_weight         323.33
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 1 21/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                 104.5160(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   15.5860(4)
_cell_length_b                   12.4441(3)
_cell_length_c                   17.1047(4)
_cell_measurement_reflns_used    9526
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      24.995
_cell_measurement_theta_min      2.616
_cell_volume                     3211.62(14)
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1986)'
_diffrn_ambient_temperature      200(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'D8 Venture'
_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  0.0418
_diffrn_reflns_av_sigmaI/netI    0.0212
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            49404
_diffrn_reflns_theta_full        25.05
_diffrn_reflns_theta_max         25.05
_diffrn_reflns_theta_min         2.49
_exptl_absorpt_coefficient_mu    0.086
_exptl_absorpt_correction_T_max  0.9914
_exptl_absorpt_correction_T_min  0.9566
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.337
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1344
_exptl_crystal_size_max          0.52
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.153
_refine_diff_density_min         -0.173
_refine_diff_density_rms         0.031
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.058
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     451
_refine_ls_number_reflns         5639
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.058
_refine_ls_R_factor_all          0.0455
_refine_ls_R_factor_gt           0.0343
_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)+(0.0453P)²+0.8455P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0853
_refine_ls_wR_factor_ref         0.0960
_reflns_number_gt                4717
_reflns_number_total             5639
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            jo0c00346_si_003.cif
_cod_data_source_block           d19062a
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4038181
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
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
C1 C 0.48981(9) 0.07144(11) 0.60902(8) 0.0332(3) Uani 1 1 d . . .
C2 C 0.45821(10) -0.01702(11) 0.65115(8) 0.0354(3) Uani 1 1 d . . .
C3 C 0.51060(11) -0.10752(12) 0.67536(8) 0.0420(4) Uani 1 1 d . . .
H3 H 0.5676 -0.1124 0.6650 0.050 Uiso 1 1 calc R . .
C4 C 0.47946(13) -0.19019(13) 0.71452(10) 0.0538(5) Uani 1 1 d . . .
H4 H 0.5152 -0.2519 0.7315 0.065 Uiso 1 1 calc R . .
C5 C 0.39657(14) -0.18331(15) 0.72897(10) 0.0613(5) Uani 1 1 d . . .
H5 H 0.3749 -0.2408 0.7552 0.074 Uiso 1 1 calc R . .
C6 C 0.34486(13) -0.09338(16) 0.70559(11) 0.0592(5) Uani 1 1 d . . .
H6 H 0.2879 -0.0890 0.7161 0.071 Uiso 1 1 calc R . .
C7 C 0.37533(11) -0.00989(14) 0.66700(9) 0.0468(4) Uani 1 1 d . . .
H7 H 0.3398 0.0523 0.6513 0.056 Uiso 1 1 calc R . .
C8 C 0.45252(9) 0.13434(11) 0.54430(8) 0.0303(3) Uani 1 1 d . . .
C9 C 0.36466(9) 0.12284(11) 0.48761(8) 0.0308(3) Uani 1 1 d . . .
C10 C 0.32527(9) 0.02188(12) 0.47427(8) 0.0370(3) Uani 1 1 d . . .
H10 H 0.3563 -0.0389 0.5009 0.044 Uiso 1 1 calc R . .
C11 C 0.24206(10) 0.00823(13) 0.42323(9) 0.0441(4) Uani 1 1 d . . .
H11 H 0.2165 -0.0614 0.4147 0.053 Uiso 1 1 calc R . .
C12 C 0.19599(10) 0.09597(14) 0.38450(9) 0.0456(4) Uani 1 1 d . . .
H12 H 0.1385 0.0870 0.3497 0.055 Uiso 1 1 calc R . .
C13 C 0.23378(9) 0.19645(13) 0.39663(9) 0.0410(4) Uani 1 1 d . . .
H13 H 0.2018 0.2567 0.3702 0.049 Uiso 1 1 calc R . .
C14 C 0.31830(9) 0.21138(11) 0.44711(8) 0.0331(3) Uani 1 1 d . . .
C15 C 0.35147(9) 0.32471(12) 0.45386(9) 0.0384(3) Uani 1 1 d . . .
C16 C 0.44244(9) 0.35212(11) 0.44621(8) 0.0357(3) Uani 1 1 d . . .
C17 C 0.44781(11) 0.44142(13) 0.39821(10) 0.0456(4) Uani 1 1 d . . .
H17 H 0.3954 0.4801 0.3737 0.055 Uiso 1 1 calc R . .
C18 C 0.52778(12) 0.47433(14) 0.38577(10) 0.0507(4) Uani 1 1 d . . .
H18 H 0.5302 0.5346 0.3523 0.061 Uiso 1 1 calc R . .
C19 C 0.60423(11) 0.41933(13) 0.42207(10) 0.0475(4) Uani 1 1 d . . .
H19 H 0.6595 0.4419 0.4137 0.057 Uiso 1 1 calc R . .
C20 C 0.60068(10) 0.33186(12) 0.47036(9) 0.0399(3) Uani 1 1 d . . .
H20 H 0.6537 0.2947 0.4953 0.048 Uiso 1 1 calc R . .
C21 C 0.52026(9) 0.29686(11) 0.48323(8) 0.0323(3) Uani 1 1 d . . .
C22 C 0.52100(9) 0.20860(11) 0.53997(8) 0.0313(3) Uani 1 1 d . . .
C23 C 0.07892(8) 0.43782(11) 0.41700(8) 0.0293(3) Uani 1 1 d . . .
C24 C 0.08557(9) 0.53937(11) 0.37542(7) 0.0300(3) Uani 1 1 d . . .
C25 C 0.01014(9) 0.58367(12) 0.32367(8) 0.0359(3) Uani 1 1 d . . .
H25 H -0.0450 0.5471 0.3143 0.043 Uiso 1 1 calc R . .
C26 C 0.01568(10) 0.68058(13) 0.28612(8) 0.0420(4) Uani 1 1 d . . .
H26 H -0.0359 0.7111 0.2515 0.050 Uiso 1 1 calc R . .
C27 C 0.09584(10) 0.73355(13) 0.29857(9) 0.0425(4) Uani 1 1 d . . .
H27 H 0.0993 0.8003 0.2726 0.051 Uiso 1 1 calc R . .
C28 C 0.17120(10) 0.68933(12) 0.34884(9) 0.0406(3) Uani 1 1 d . . .
H28 H 0.2264 0.7254 0.3569 0.049 Uiso 1 1 calc R . .
C29 C 0.16618(9) 0.59255(11) 0.38737(8) 0.0349(3) Uani 1 1 d . . .
H29 H 0.2179 0.5625 0.4220 0.042 Uiso 1 1 calc R . .
C30 C 0.10798(8) 0.40212(10) 0.49469(7) 0.0275(3) Uani 1 1 d . . .
C31 C 0.15399(8) 0.46241(11) 0.56692(7) 0.0280(3) Uani 1 1 d . . .
C32 C 0.13916(9) 0.57249(11) 0.57227(8) 0.0315(3) Uani 1 1 d . . .
H32 H 0.1004 0.6082 0.5282 0.038 Uiso 1 1 calc R . .
C33 C 0.17964(9) 0.63065(12) 0.64026(8) 0.0370(3) Uani 1 1 d . . .
H33 H 0.1683 0.7054 0.6427 0.044 Uiso 1 1 calc R . .
C34 C 0.23671(10) 0.57995(13) 0.70476(8) 0.0403(4) Uani 1 1 d . . .
H34 H 0.2638 0.6194 0.7521 0.048 Uiso 1 1 calc R . .
C35 C 0.25402(9) 0.47232(13) 0.70009(8) 0.0386(3) Uani 1 1 d . . .
H35 H 0.2946 0.4382 0.7438 0.046 Uiso 1 1 calc R . .
C36 C 0.21295(9) 0.41207(11) 0.63203(8) 0.0319(3) Uani 1 1 d . . .
C37 C 0.23523(10) 0.29525(12) 0.63593(8) 0.0388(3) Uani 1 1 d . . .
C38 C 0.16260(10) 0.21346(11) 0.62176(9) 0.0374(3) Uani 1 1 d . . .
C39 C 0.17204(12) 0.13177(13) 0.67966(10) 0.0482(4) Uani 1 1 d . . .
H39 H 0.2234 0.1300 0.7235 0.058 Uiso 1 1 calc R . .
C40 C 0.10805(13) 0.05418(14) 0.67379(11) 0.0574(5) Uani 1 1 d . . .
H40 H 0.1148 -0.0002 0.7138 0.069 Uiso 1 1 calc R . .
C41 C 0.03391(13) 0.05535(14) 0.60968(11) 0.0579(5) Uani 1 1 d . . .
H41 H -0.0102 0.0015 0.6055 0.070 Uiso 1 1 calc R . .
C42 C 0.02358(11) 0.13462(13) 0.55141(10) 0.0477(4) Uani 1 1 d . . .
H42 H -0.0276 0.1346 0.5074 0.057 Uiso 1 1 calc R . .
C43 C 0.08749(10) 0.21469(11) 0.55659(9) 0.0357(3) Uani 1 1 d . . .
C44 C 0.07715(8) 0.29398(11) 0.49128(8) 0.0307(3) Uani 1 1 d . . .
O1 O 0.57460(6) 0.10269(8) 0.64107(6) 0.0390(2) Uani 1 1 d . . .
O2 O 0.29934(7) 0.39689(9) 0.45565(8) 0.0598(3) Uani 1 1 d . . .
O3 O 0.03431(6) 0.35777(8) 0.37005(5) 0.0352(2) Uani 1 1 d . . .
O4 O 0.31203(7) 0.26646(10) 0.66088(8) 0.0598(3) Uani 1 1 d . . .
N1 N 0.59412(8) 0.19027(10) 0.59675(7) 0.0376(3) Uani 1 1 d . . .
N2 N 0.03314(8) 0.26648(9) 0.41791(7) 0.0362(3) Uani 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'
O O 0.0106 0.0060 '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'
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
O1 C1 C8 109.77(12) . . ?
O1 C1 C2 115.49(11) . . ?
C8 C1 C2 134.71(13) . . ?
C7 C2 C3 119.94(14) . . ?
C7 C2 C1 119.45(13) . . ?
C3 C2 C1 120.61(14) . . ?
C4 C3 C2 119.74(16) . . ?
C4 C3 H3 120.1 . . ?
C2 C3 H3 120.1 . . ?
C5 C4 C3 120.03(16) . . ?
C5 C4 H4 120.0 . . ?
C3 C4 H4 120.0 . . ?
C6 C5 C4 120.32(16) . . ?
C6 C5 H5 119.8 . . ?
C4 C5 H5 119.8 . . ?
C7 C6 C5 120.31(18) . . ?
C7 C6 H6 119.8 . . ?
C5 C6 H6 119.8 . . ?
C6 C7 C2 119.67(16) . . ?
C6 C7 H7 120.2 . . ?
C2 C7 H7 120.2 . . ?
C1 C8 C22 104.01(12) . . ?
C1 C8 C9 128.04(13) . . ?
C22 C8 C9 127.77(12) . . ?
C10 C9 C14 118.48(12) . . ?
C10 C9 C8 119.64(12) . . ?
C14 C9 C8 121.86(12) . . ?
C11 C10 C9 121.38(14) . . ?
C11 C10 H10 119.3 . . ?
C9 C10 H10 119.3 . . ?
C10 C11 C12 119.94(15) . . ?
C10 C11 H11 120.0 . . ?
C12 C11 H11 120.0 . . ?
C13 C12 C11 119.64(14) . . ?
C13 C12 H12 120.2 . . ?
C11 C12 H12 120.2 . . ?
C12 C13 C14 121.12(14) . . ?
C12 C13 H13 119.4 . . ?
C14 C13 H13 119.4 . . ?
C13 C14 C9 119.41(13) . . ?
C13 C14 C15 115.32(13) . . ?
C9 C14 C15 125.26(12) . . ?
O2 C15 C16 119.18(14) . . ?
O2 C15 C14 118.53(13) . . ?
C16 C15 C14 121.66(12) . . ?
C17 C16 C21 118.95(13) . . ?
C17 C16 C15 115.51(13) . . ?
C21 C16 C15 125.54(13) . . ?
C18 C17 C16 121.13(15) . . ?
C18 C17 H17 119.4 . . ?
C16 C17 H17 119.4 . . ?
C17 C18 C19 119.71(15) . . ?
C17 C18 H18 120.1 . . ?
C19 C18 H18 120.1 . . ?
C20 C19 C18 120.18(15) . . ?
C20 C19 H19 119.9 . . ?
C18 C19 H19 119.9 . . ?
C19 C20 C21 120.96(15) . . ?
C19 C20 H20 119.5 . . ?
C21 C20 H20 119.5 . . ?
C20 C21 C16 119.07(13) . . ?
C20 C21 C22 118.72(13) . . ?
C16 C21 C22 122.04(12) . . ?
N1 C22 C8 111.66(12) . . ?
N1 C22 C21 118.68(12) . . ?
C8 C22 C21 129.66(12) . . ?
O3 C23 C30 109.44(11) . . ?
O3 C23 C24 115.69(11) . . ?
C30 C23 C24 134.87(12) . . ?
C29 C24 C25 119.48(13) . . ?
C29 C24 C23 120.69(12) . . ?
C25 C24 C23 119.82(12) . . ?
C26 C25 C24 119.98(13) . . ?
C26 C25 H25 120.0 . . ?
C24 C25 H25 120.0 . . ?
C25 C26 C27 120.35(13) . . ?
C25 C26 H26 119.8 . . ?
C27 C26 H26 119.8 . . ?
C26 C27 C28 120.01(14) . . ?
C26 C27 H27 120.0 . . ?
C28 C27 H27 120.0 . . ?
C27 C28 C29 120.08(14) . . ?
C27 C28 H28 120.0 . . ?
C29 C28 H28 120.0 . . ?
C28 C29 C24 120.09(13) . . ?
C28 C29 H29 120.0 . . ?
C24 C29 H29 120.0 . . ?
C23 C30 C44 103.95(11) . . ?
C23 C30 C31 128.66(12) . . ?
C44 C30 C31 127.23(12) . . ?
C32 C31 C36 118.22(12) . . ?
C32 C31 C30 120.14(12) . . ?
C36 C31 C30 121.64(12) . . ?
C33 C32 C31 121.42(13) . . ?
C33 C32 H32 119.3 . . ?
C31 C32 H32 119.3 . . ?
C32 C33 C34 119.95(14) . . ?
C32 C33 H33 120.0 . . ?
C34 C33 H33 120.0 . . ?
C35 C34 C33 119.66(13) . . ?
C35 C34 H34 120.2 . . ?
C33 C34 H34 120.2 . . ?
C34 C35 C36 121.09(13) . . ?
C34 C35 H35 119.5 . . ?
C36 C35 H35 119.5 . . ?
C35 C36 C31 119.62(13) . . ?
C35 C36 C37 115.63(12) . . ?
C31 C36 C37 124.73(12) . . ?
O4 C37 C36 119.92(14) . . ?
O4 C37 C38 119.56(14) . . ?
C36 C37 C38 119.82(12) . . ?
C43 C38 C39 119.32(14) . . ?
C43 C38 C37 124.71(13) . . ?
C39 C38 C37 115.97(14) . . ?
C40 C39 C38 120.84(16) . . ?
C40 C39 H39 119.6 . . ?
C38 C39 H39 119.6 . . ?
C39 C40 C41 119.93(16) . . ?
C39 C40 H40 120.0 . . ?
C41 C40 H40 120.0 . . ?
C40 C41 C42 120.24(16) . . ?
C40 C41 H41 119.9 . . ?
C42 C41 H41 119.9 . . ?
C41 C42 C43 120.74(16) . . ?
C41 C42 H42 119.6 . . ?
C43 C42 H42 119.6 . . ?
C42 C43 C38 118.94(14) . . ?
C42 C43 C44 119.38(14) . . ?
C38 C43 C44 121.57(13) . . ?
N2 C44 C30 111.99(12) . . ?
N2 C44 C43 118.84(12) . . ?
C30 C44 C43 129.16(12) . . ?
C1 O1 N1 109.02(10) . . ?
C23 O3 N2 109.19(9) . . ?
C22 N1 O1 105.53(11) . . ?
C44 N2 O3 105.43(10) . . ?
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
C1 O1 1.3547(16) . ?
C1 C8 1.3614(19) . ?
C1 C2 1.467(2) . ?
C2 C7 1.388(2) . ?
C2 C3 1.392(2) . ?
C3 C4 1.380(2) . ?
C3 H3 0.9500 . ?
C4 C5 1.378(3) . ?
C4 H4 0.9500 . ?
C5 C6 1.378(3) . ?
C5 H5 0.9500 . ?
C6 C7 1.378(2) . ?
C6 H6 0.9500 . ?
C7 H7 0.9500 . ?
C8 C22 1.4277(19) . ?
C8 C9 1.4732(18) . ?
C9 C10 1.392(2) . ?
C9 C14 1.4018(19) . ?
C10 C11 1.380(2) . ?
C10 H10 0.9500 . ?
C11 C12 1.381(2) . ?
C11 H11 0.9500 . ?
C12 C13 1.376(2) . ?
C12 H12 0.9500 . ?
C13 C14 1.395(2) . ?
C13 H13 0.9500 . ?
C14 C15 1.496(2) . ?
C15 O2 1.2168(17) . ?
C15 C16 1.496(2) . ?
C16 C17 1.397(2) . ?
C16 C21 1.400(2) . ?
C17 C18 1.378(2) . ?
C17 H17 0.9500 . ?
C18 C19 1.379(2) . ?
C18 H18 0.9500 . ?
C19 C20 1.376(2) . ?
C19 H19 0.9500 . ?
C20 C21 1.396(2) . ?
C20 H20 0.9500 . ?
C21 C22 1.4637(19) . ?
C22 N1 1.3187(17) . ?
C23 O3 1.3568(16) . ?
C23 C30 1.3662(18) . ?
C23 C24 1.4665(19) . ?
C24 C29 1.3890(19) . ?
C24 C25 1.3957(19) . ?
C25 C26 1.379(2) . ?
C25 H25 0.9500 . ?
C26 C27 1.381(2) . ?
C26 H26 0.9500 . ?
C27 C28 1.384(2) . ?
C27 H27 0.9500 . ?
C28 C29 1.384(2) . ?
C28 H28 0.9500 . ?
C29 H29 0.9500 . ?
C30 C44 1.4252(18) . ?
C30 C31 1.4694(18) . ?
C31 C32 1.3961(19) . ?
C31 C36 1.4014(18) . ?
C32 C33 1.3807(19) . ?
C32 H32 0.9500 . ?
C33 C34 1.384(2) . ?
C33 H33 0.9500 . ?
C34 C35 1.373(2) . ?
C34 H34 0.9500 . ?
C35 C36 1.3977(19) . ?
C35 H35 0.9500 . ?
C36 C37 1.492(2) . ?
C37 O4 1.2195(17) . ?
C37 C38 1.496(2) . ?
C38 C43 1.400(2) . ?
C38 C39 1.401(2) . ?
C39 C40 1.374(2) . ?
C39 H39 0.9500 . ?
C40 C41 1.379(3) . ?
C40 H40 0.9500 . ?
C41 C42 1.383(2) . ?
C41 H41 0.9500 . ?
C42 C43 1.396(2) . ?
C42 H42 0.9500 . ?
C43 C44 1.4688(19) . ?
C44 N2 1.3156(18) . ?
O1 N1 1.4038(15) . ?
O3 N2 1.4031(15) . ?
