5-(4-Fluorophenyl)-2-[2-(5-phenyl-1,3-oxazol-2-yl)phenyl]-1,3-oxazole
Ilyashenko, Rodion; Wera, Michał; Błażejowski, Jerzy; Doroshenko, Andrey; Acta Crystallographica Section E 66 (2010) o2379–o2380; doi:10.1107/S1600536810031235

data_2227412
_publ_section_title
;
 5-(4-Fluorophenyl)-2-[2-(5-phenyl-1,3-oxazol-2-yl)phenyl]-1,3-oxazole
;
_journal_coeditor_code           FB2208
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o2379
_journal_page_last               o2380
_journal_paper_doi               10.1107/S1600536810031235
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac          'C24 H15 F N2 O2'
_chemical_formula_moiety         'C24 H15 F N2 O2'
_chemical_formula_sum            'C24 H15 F N2 O2'
_chemical_formula_weight         382.38
_chemical_melting_point_gt       371
_chemical_melting_point_lt       372
_chemical_name_systematic
;
5-(4-Fluorophenyl)-2-[2-(5-phenyl-1,3-oxazol-2-yl)phenyl]-1,3-oxazole
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   difmap
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 100.571(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.3158(3)
_cell_length_b                   10.8176(3)
_cell_length_c                   18.9449(5)
_cell_measurement_reflns_used    3303
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.25
_cell_volume                     1876.76(10)
_computing_cell_refinement
'<i>CrysAlis RED</i> (Oxford Diffraction, 2008)'
_computing_data_collection
'<i>CrysAlis CCD</i> (Oxford Diffraction, 2008)'
_computing_data_reduction
'<i>CrysAlis RED</i> (Oxford Diffraction, 2008)'
_computing_molecular_graphics    '<i>ORTEP-3 for Windows</i> (Farrugia, 1997)'
_computing_publication_material
'<i>SHELXL97</i> (Sheldrick, 2008) and <i>PLATON</i> (Spek, 2009)'
_computing_structure_refinement  '<i>SHELXL97</i> (Sheldrick, 2008)'
_computing_structure_solution    '<i>SHELXS97</i> (Sheldrick, 2008)'
_diffrn_ambient_temperature      295(2)
_diffrn_detector_area_resol_mean 10.4002
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'Oxford Diffraction GEMINI R ULTRA Ruby CCD'
_diffrn_measurement_method       \w-scan
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0239
_diffrn_reflns_av_sigmaI/netI    0.0251
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            16242
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         3.25
_exptl_absorpt_coefficient_mu    0.094
_exptl_absorpt_correction_T_max  0.991
_exptl_absorpt_correction_T_min  0.956
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(CrysAlis RED; Oxford Diffraction, 2008)
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.353
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             792
_exptl_crystal_size_max          0.6
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.114
_refine_diff_density_min         -0.165
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.035
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     266
_refine_ls_number_reflns         4263
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.036
_refine_ls_R_factor_all          0.0896
_refine_ls_R_factor_gt           0.0482
_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/[\s^2^(Fo^2^)+(0.0570P)^2^+0.1320P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1068
_refine_ls_wR_factor_ref         0.1196
_reflns_number_gt                2707
_reflns_number_total             4263
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            fb2208.cif
_cod_data_source_block           I
_cod_original_cell_volume        1876.76(9)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2227412
_cod_database_fobs_code          2227412