Structure of 4-[(3-methoxyphenylimino)methyl]phenol
Yeap, G.-Y.; Teo, S.-B.; Fun, H.-K.; Teoh, S.-G.; Acta Crystallographica Section C 49 (1993) 1396–1398; doi:10.1107/S0108270193000654

data_2001554
_publ_section_title
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 Structure of 4-[(3-methoxyphenylimino)methyl]phenol
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_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1396
_journal_page_last               1398
_journal_paper_doi               10.1107/S0108270193000654
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C14 H13 N O2'
_chemical_formula_weight         227.26
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 2/a 1'
_atom_type_scat_source           'SHELX76 (Sheldrick, 1976)'
_cell_angle_alpha                90
_cell_angle_beta                 92.250(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.248(2)
_cell_length_b                   8.6370(10)
_cell_length_c                   10.934(3)
_cell_measurement_reflns_used    30
_cell_measurement_temperature    298
_cell_measurement_theta_max      22.5
_cell_measurement_theta_min      17.5
_cell_volume                     1155.8(4)
_diffrn_measurement_device       'Syntex P2~1~'
_diffrn_measurement_method       2\q/\q
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.1941
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            2630
_diffrn_reflns_theta_max         26.1
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 50
_diffrn_standards_number         1
_exptl_absorpt_coefficient_mu    0.08
_exptl_absorpt_correction_T_max  0.9762
_exptl_absorpt_correction_T_min  0.8847
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.306
_exptl_crystal_density_meas      1.309
_exptl_crystal_description       needle
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_refine_diff_density_max         0.206
_refine_diff_density_min         -0.201
_refine_ls_goodness_of_fit_obs   1.32
_refine_ls_hydrogen_treatment    refU
_refine_ls_number_parameters     197
_refine_ls_number_reflns         1892
_refine_ls_R_factor_obs          0.0526
_refine_ls_shift/esd_max         0.003
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 5.0845/[\s^2^(F) + 0.000264F^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.0566
_reflns_number_observed          1892
_reflns_number_total             2356
_reflns_observed_criterion       I>2.5\s(I)
_cod_data_source_file            hh1028.cif
_cod_data_source_block           hh1028_structure_1_of_1
_cod_depositor_comments
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The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'w = 5.0845/[\s^2^(F) +
0.000264F^2^]' was changed to 'calc'. New tag
'_refine_ls_weighting_details' was created. The value of the new tag
was set to 'w = 5.0845/[\s^2^(F) + 0.000264F^2^]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
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_cod_original_cell_volume        1155.8(7)
_cod_database_code               2001554