(±)-8-Phenyldinaphtho[2,1-<i>d</i>:1',2'-<i>f</i>][1,3,2]dioxaphosphepine
Tani, K.; Yamagata, T.; Nagata, K.; Acta Crystallographica Section C 50 (1994) 1274–1276; doi:10.1107/S0108270193012740

data_2009989
_publ_section_title
;
 (+-)-8-Phenyldinaphtho[2,1-<i>d</i>:1',2'-<i>f</i>][1,3,2]dioxaphosphepine
;
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1274
_journal_page_last               1276
_journal_paper_doi               10.1107/S0108270193012740
_journal_volume                  50
_journal_year                    1994
_chemical_formula_moiety         'C26 H17 O2 P1'
_chemical_formula_sum            'C26 H17 O2 P'
_chemical_formula_weight         392.39
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90.
_cell_angle_beta                 108.304(5)
_cell_angle_gamma                90.
_cell_formula_units_Z            8
_cell_length_a                   36.804(5)
_cell_length_b                   8.6204(7)
_cell_length_c                   12.9140(10)
_cell_measurement_reflns_used    50
_cell_measurement_temperature    293.0(10)
_cell_measurement_theta_max      26.30
_cell_measurement_theta_min      20.22
_cell_volume                     3889.9(7)
_diffrn_measurement_device       'Rigaku AFC5R'
_diffrn_measurement_method       '\w scan < 70 (2\q) < \q-2\q scan'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  '0.035 (on F~o~)'
_diffrn_reflns_limit_h_max       41
_diffrn_reflns_limit_h_min       -41
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            3281
_diffrn_reflns_theta_max         60.0
_diffrn_standards_decay_%        none
_diffrn_standards_interval_count 200
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.390
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.8287
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.340
_exptl_crystal_description       prism
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.17
_refine_diff_density_max         0.26
_refine_diff_density_min         -0.34
_refine_ls_goodness_of_fit_obs   1.975
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     262
_refine_ls_number_reflns         1525
_refine_ls_R_factor_obs          0.07414
_refine_ls_shift/esd_max         0.0
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/\s^2^(F~o~)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.05531
_reflns_number_observed          1525
_reflns_number_total             2900
_reflns_observed_criterion       F~o~>4\s(F~o~)
_cod_data_source_file            oh1056.cif
_cod_data_source_block           oh1056_structure_1_of_1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '1/\s^2^(F~o~)' 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~o~)'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        3889.7(7)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_original_formula_sum        'C26 H17 O2 P1'
_cod_database_code               2009989