(Z)-2-(4-Fluorophenyl)-3-(3-nitrophenyl)-5-phenylisoxazolidine: the Major Isomer Formed by 1,3-Dipolar Addition of an Arylnitrone to Styrene
Banks, R. E.; DuBoisson, R. A.; Pritchard, R. G.; Tipping, A. E.; Acta Crystallographica Section C 51 (1995) 1434–1435; doi:10.1107/S0108270194014757

data_2003670
_publ_section_title
;
 (Z)-2-(4-Fluorophenyl)-3-(3-nitrophenyl)-5-phenylisoxazolidine: the Major
 Isomer Formed by 1,3-Dipolar Addition of an Arylnitrone to Styrene
;
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1434
_journal_page_last               1435
_journal_paper_doi               10.1107/S0108270194014757
_journal_volume                  51
_journal_year                    1995
_chemical_compound_source        'synthesized at UMIST'
_chemical_formula_moiety         'C21 H17 F1 N2 O3'
_chemical_formula_structural     'C21 H17 F1 N2 O3'
_chemical_formula_sum            'C21 H17 F N2 O3'
_chemical_formula_weight         364.38
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.47(2)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.556(2)
_cell_length_b                   15.332(4)
_cell_length_c                   10.427(4)
_cell_measurement_reflns_used    20
_cell_measurement_temperature    296
_cell_measurement_theta_max      12.50
_cell_measurement_theta_min      6.00
_cell_volume                     888(1)
_diffrn_measurement_device       CAD4
_diffrn_measurement_method       \w/2-\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  1.36
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            1887
_diffrn_reflns_theta_max         25.0
_diffrn_standards_decay_%        0.00
_diffrn_standards_interval_count 150
_diffrn_standards_interval_time  ?
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.0929
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_type   ?
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.362
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       needle
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.05
_exptl_crystal_size_rad          ?
_refine_diff_density_max         0.17864
_refine_diff_density_min         -0.19135
_refine_ls_abs_structure_details ?
_refine_ls_abs_structure_Flack   ?
_refine_ls_extinction_coef       38(1)x10^-7^
_refine_ls_extinction_method     Zachariasen_type_2_Gaussian_isotropic
_refine_ls_goodness_of_fit_all   ?
_refine_ls_goodness_of_fit_obs   1.649
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     244
_refine_ls_number_reflns         856
_refine_ls_R_factor_obs          0.0617
_refine_ls_shift/esd_max         0.0775
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_all         ?
_refine_ls_wR_factor_obs         0.0701
_reflns_number_observed          856
_reflns_number_total             1638
_reflns_observed_criterion       F>3\s(F)
_cod_original_sg_symbol_H-M      'P 21'
_cod_original_formula_sum        'C21 H17 F1 N2 O3'
_cod_database_code               2003670