(+)-(<i>R</i>)- and racemic forms of 2,2'-dihydroxy-1,1'-binaphthyl
Mori, K.; Masuda, Y.; Kashino, S.; Acta Crystallographica Section C 49 (1993) 1224–1227; doi:10.1107/S0108270193000083

data_2001651
_publ_section_title
;
 (+)-(<i>R</i>)- and racemic forms of 2,2'-dihydroxy-1,1'-binaphthyl
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1224
_journal_page_last               1227
_journal_paper_doi               10.1107/S0108270193000083
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C20 H14 O2'
_chemical_formula_weight         286.33
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'I 2 -2c'
_symmetry_space_group_name_H-M   'I b a 2'
_atom_type_scat_source           'IntTabIV Table 2.2B'
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                90.
_cell_formula_units_Z            8
_cell_length_a                   15.696(2)
_cell_length_b                   21.617(2)
_cell_length_c                   8.6253(6)
_cell_measurement_reflns_used    20
_cell_measurement_temperature    295
_cell_measurement_theta_max      21
_cell_measurement_theta_min      19
_cell_volume                     2926.6(5)
_diffrn_measurement_device       'Rigaku AFC-5'
_diffrn_measurement_method
;\w-2\q scans; width 1.2 + 0.15tan\q)\% in \w; rate 4\% min^-1^
in \w; background counts 4 s on each side of every scan
;
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.020
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -1
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            1358
_diffrn_reflns_theta_max         62.5
_diffrn_standards_decay_%        0.8
_diffrn_standards_interval_count 97
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.623
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    1.300
_exptl_crystal_density_meas      1.30
_exptl_crystal_density_method    'flotation in aq. KI'
_exptl_crystal_description       'Plate developed {010}'
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.10
_refine_diff_density_min         -0.13
_refine_ls_goodness_of_fit_obs   1.214
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     258
_refine_ls_number_reflns         1197
_refine_ls_R_factor_obs          0.034
_refine_ls_shift/esd_max         0.19
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(F)-0.0340|F~o~|+0.0042|F~o~|^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.039
_reflns_number_observed          1197
_reflns_number_total             1258
_reflns_observed_criterion       F>1.0\s(F)
_cod_data_source_file            oh1012.cif
_cod_data_source_block           oh1012_structure_2_of_2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '
1/[\s^2^(F)-0.0340|F~o~|+0.0042|F~o~|^2^]' was changed to 'calc'. New
tag '_refine_ls_weighting_details' was created. The value of the new
tag was set to 'w = 1/[\s^2^(F)-0.0340|F~o~|+0.0042|F~o~|^2^]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        2926.6(4)
_cod_database_code               2001651