Structure of 4-[(4-methoxyphenylimino)methyl]phenol
Yeap, G.-Y.; Fun, H.-K.; Teoh, S.-G.; Teo, S.-B.; Chinnakali, K.; Yip, B.-C.; Acta Crystallographica Section C 48 (1992) 2257–2258; doi:10.1107/S0108270192008035

data_2000406
_publ_section_title
;
 Structure of 4-[(4-methoxyphenylimino)methyl]phenol
;
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2257
_journal_page_last               2258
_journal_paper_doi               10.1107/S0108270192008035
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C14 H13 N O2'
_chemical_formula_weight         227.3
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2n 2ab'
_symmetry_space_group_name_H-M   'P b c n'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            8
_cell_length_a                   22.521(6)
_cell_length_b                   10.809(3)
_cell_length_c                   9.509(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    298
_cell_measurement_theta_max      17.5
_cell_measurement_theta_min      7.5
_cell_volume                     2314.8(10)
_diffrn_measurement_device       'Siemens P4'
_diffrn_measurement_method       2\q/\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0000
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            2681
_diffrn_reflns_theta_max         55.0
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 100
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    0.088
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    1.304
_exptl_crystal_density_meas      1.310
_exptl_crystal_description       Needle
_exptl_crystal_size_max          2
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.20
_refine_diff_density_min         -0.20
_refine_ls_goodness_of_fit_obs   1.00
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     206
_refine_ls_number_reflns         1171
_refine_ls_R_factor_obs          0.0454
_refine_ls_shift/esd_max         0.001
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1.0/[\s^2^(F)+0.001F^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.0493
_reflns_number_observed          1171
_reflns_number_total             2681
_reflns_observed_criterion       F>4.0\s(F)
_cod_data_source_file            li1009.cif
_cod_data_source_block           li1009a
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '1.0/[\s^2^(F)+0.001F^2^]' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to 'w =
1.0/[\s^2^(F)+0.001F^2^]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        2314.9(10)
_cod_original_formula_sum        'C14 H13 N1 O2'
_cod_database_code               2000406