Ethyldiphenylphosphine oxide, (C~6~H~5~)~2~(C~2~H~5~)PO
Orama, O.; Koskinen, J.T.; Acta Crystallographica Section C 50 (1994) 608–609; doi:10.1107/S0108270193009722

data_2009576
_publ_section_title
;
 Ethyldiphenylphosphine oxide, (C~6~H~5~)~2~(C~2~H~5~)PO
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              608
_journal_page_last               609
_journal_paper_doi               10.1107/S0108270193009722
_journal_volume                  50
_journal_year                    1994
_chemical_formula_sum            'C14 H15 O P'
_chemical_formula_weight         230.2
_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
_cell_angle_alpha                90
_cell_angle_beta                 106.48(5)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.526(3)
_cell_length_b                   10.856(4)
_cell_length_c                   14.448(4)
_cell_measurement_reflns_used    18
_cell_measurement_temperature    293
_cell_measurement_theta_max      14
_cell_measurement_theta_min      7
_cell_volume                     1282.3(8)
_diffrn_measurement_device       'Nicolet P3F'
_diffrn_measurement_method       \w
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.022
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            2166
_diffrn_reflns_theta_max         24
_diffrn_standards_decay_%        2
_diffrn_standards_interval_count 98
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    0.191
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.193
_exptl_crystal_description       Plates
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.25
_refine_diff_density_min         -0.23
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   1.61
_refine_ls_hydrogen_treatment
' Riding model, C-H 0.96\%A, fixed isotropic U = 0.08\%A^2^'
_refine_ls_number_parameters     145
_refine_ls_number_reflns         1600
_refine_ls_R_factor_obs          0.039
_refine_ls_shift/esd_max         0.018
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(F) + 0.0002F^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.043
_reflns_number_observed          1600
_reflns_number_total             2017
_reflns_observed_criterion       I>4\s(I)
_cod_data_source_file            ab1090.cif
_cod_data_source_block           ab1090_structure_1_of_1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'w = 1/[\s^2^(F) + 0.0002F^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) +
0.0002F^2^]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        1282.0(10)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C14 H15 O1 P1'
_cod_database_code               2009576