Koser's reagent-promoted synthesis of substituted isoxazoles and their photophysical properties.
Budhwan, Rajnish; Dahiya, Pooja; Singh, Nikunj; Chauhan, Shivom; Peddinti, Rama Krishna; Organic & biomolecular chemistry 24 (2026) 2742–2751; doi:10.1039/d5ob02000j

data_7161059
_publ_section_title
;
 Koser's reagent-promoted synthesis of substituted isoxazoles and their
 photophysical properties.
;
_journal_issue                   13
_journal_name_full               'Organic &amp; biomolecular chemistry'
_journal_page_first              2742
_journal_page_last               2751
_journal_paper_doi               10.1039/d5ob02000j
_journal_volume                  24
_journal_year                    2026
_chemical_formula_moiety         'C19 H13 N O5'
_chemical_formula_sum            'C19 H13 N O5'
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_space_group_crystal_system      monoclinic
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_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2019/1
_audit_update_record
;
2026-02-19 deposited with the CCDC.	2026-03-03 downloaded from the CCDC.
;
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_cell_angle_beta                 95.4980(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
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_cell_length_c                   17.4401(6)
_cell_measurement_reflns_used    9785
_cell_measurement_temperature    104(2)
_cell_measurement_theta_max      28.2810
_cell_measurement_theta_min      3.2525
_cell_volume                     1487.55(9)
_computing_structure_refinement  'SHELXL-2019/1 (Sheldrick, 2019)'
_diffrn_ambient_temperature      104(2)
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_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker D8 QUEST photon III C7'
_diffrn_measurement_method       '\ f and \ w scans'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_unetI/netI     0.0237
_diffrn_reflns_Laue_measured_fraction_full 0.995
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_diffrn_reflns_limit_h_min       -15
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_diffrn_source                   'micro-focus sealed tube'
_exptl_absorpt_coefficient_mu    0.110
_exptl_crystal_colour            yellow
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_exptl_crystal_density_method    'not measured'
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_exptl_transmission_factor_min   0.78
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_refine_ls_extinction_method     none
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0564P)^2^+0.4545P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0911
_refine_ls_wR_factor_ref         0.0934
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2515
_reflns_number_total             2728
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d5ob02000j3.cif
_cod_data_source_block           RKP_RB_644_1613_0m_a
_cod_depositor_comments
'Adding full bibliography for 7161059--7161061.cif.'
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7161059
_shelx_shelxl_version_number     2019/1
_shelx_res_checksum              71502