1-Difluoroboronyloxy-3-(<i>N</i>-methylimino)-1-phenyl-1-butene and its Two Photoproducts
Itoh, Kuniaki; Fujimoto, Miki; Hashimoto, Masao; Acta Crystallographica Section C 54 (1998) 1324–1327; doi:10.1107/S0108270197004332

data_2007598
_publ_section_title
;
 1-Difluoroboronyloxy-3-(<i>N</i>-methylimino)-1-phenyl-1-butene and
 its Two Photoproducts
;
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1324
_journal_page_last               1327
_journal_paper_doi               10.1107/S0108270197004332
_journal_volume                  54
_journal_year                    1998
_chemical_formula_sum            'C22 H24 B2 F4 N2 O2'
_chemical_formula_weight         446.06
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yab'
_space_group_name_H-M_alt        'P 1 21/a 1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90
_cell_angle_beta                 111.750(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.685(2)
_cell_length_b                   8.679(3)
_cell_length_c                   17.769(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    289.2
_cell_measurement_theta_max      12.3
_cell_measurement_theta_min      11.2
_cell_volume                     2103.5(9)
_diffrn_measurement_device       ' Rigaku AFC5R'
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.0347
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            4149
_diffrn_reflns_theta_max         25.0
_diffrn_standards_decay_%        -0.55
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.112
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.408
_exptl_crystal_density_meas      1.406
_exptl_crystal_density_method    KI
_exptl_crystal_description       prism
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.37
_refine_diff_density_min         -0.42
_refine_ls_extinction_coef       3.138E-6
_refine_ls_extinction_method     Zachariasen_type_2_Gaussian_isotropic
_refine_ls_goodness_of_fit_obs   1.341
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     258
_refine_ls_number_reflns         2187
_refine_ls_R_factor_obs          .0848
_refine_ls_shift/esd_max         0.0002
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_obs         .0518
_reflns_number_observed          2187
_reflns_number_total             3986
_reflns_observed_criterion       I>2\s(I)
_cod_data_source_file            de1049.cif
_cod_data_source_block           3
_cod_depositor_comments
;
 Updating space group information and adding the symmetry operation list.

 Antanas Vaitkus,
 2018-06-17

The following automatic conversions were performed:

'_atom_site_thermal_displace_type' tag value 'Uij' was replaced with
'Uani' value 56 times.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_cell_volume        2103.4(7)
_cod_original_sg_symbol_H-M      'P 21/a'
_cod_database_code               2007598