2,2'-Azinodimethyldiphenol, C~14~H~12~N~2~O~2~
Xu, X.-X.; You, X.-Z.; Sun, Z.-F.; Wang, X.; Liu, H.-X.; Acta Crystallographica Section C 50 (1994) 1169–1171; doi:10.1107/S010827019301368X

data_2009878
_publ_section_title
;
 2,2'-Azinodimethyldiphenol, C~14~H~12~N~2~O~2~
;
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1169
_journal_page_last               1171
_journal_paper_doi               10.1107/S010827019301368X
_journal_volume                  50
_journal_year                    1994
_chemical_formula_sum            'C14 H12 N2 O2'
_chemical_formula_weight         240.26
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_type_scat_source           'IntTabIV Table 2.2B'
_cell_angle_alpha                90.
_cell_angle_beta                 107.920(10)
_cell_angle_gamma                90.
_cell_formula_units_Z            2
_cell_length_a                   8.5180(10)
_cell_length_b                   6.3050(10)
_cell_length_c                   11.812(2)
_cell_measurement_reflns_used    22
_cell_measurement_temperature    296
_cell_measurement_theta_max      19
_cell_measurement_theta_min      8
_cell_volume                     603.60(16)
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.5418
_diffrn_reflns_av_R_equivalents  0.014
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            1111
_diffrn_reflns_theta_max         64
_diffrn_standards_decay_%        0.9
_diffrn_standards_interval_time  90
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    0.7
_exptl_absorpt_correction_T_max  0.998
_exptl_absorpt_correction_T_min  0.985
_exptl_absorpt_correction_type   'empirical based on \y scan'
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_diffrn    1.32
_exptl_crystal_description       needle
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.41
_refine_diff_density_min         -0.32
_refine_ls_goodness_of_fit_obs   0.67
_refine_ls_hydrogen_treatment
'H atoms refined with fixed B~iso~ = 5.0 \%A^2^'
_refine_ls_number_parameters     102
_refine_ls_number_reflns         795
_refine_ls_R_factor_obs          0.071
_refine_ls_shift/esd_max         0.45
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = |F~o~-F~c~|/F~o~'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.073
_reflns_number_observed          795
_reflns_number_total             849
_reflns_observed_criterion       I>3\s(I)
_cod_data_source_file            li1074.cif
_cod_data_source_block           li1074_structure_1_of_1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'w = |F~o~-F~c~|/F~o~' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to 'w = |F~o~-F~c~|/F~o~'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        603.6
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2009878