(9<i>H</i>-Fluoren-9-yl)(phenyl)phosphinic acid
Burrow, Robert A.; Siqueira da Silva, Rubia M.; Acta Crystallographica Section E 69 (2013) o1–; doi:10.1107/S160053681204891X

data_2237188
_publ_section_title
;
 (9<i>H</i>-Fluoren-9-yl)(phenyl)phosphinic acid
;
_journal_coeditor_code           LH5563
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o1
_journal_paper_doi               10.1107/S160053681204891X
_journal_volume                  69
_journal_year                    2013
_chemical_formula_iupac          'C19 H15 O2 P'
_chemical_formula_moiety         'C19 H15 O2 P'
_chemical_formula_sum            'C19 H15 O2 P'
_chemical_formula_weight         306.28
_chemical_name_common            RS137:C13H9PO2HPh
_chemical_name_systematic
;
(9<i>H</i>-Fluoren-9-yl)(phenyl)phosphinic acid
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                73.348(5)
_cell_angle_beta                 87.388(5)
_cell_angle_gamma                83.619(6)
_cell_formula_units_Z            2
_cell_length_a                   8.5736(7)
_cell_length_b                   9.5668(8)
_cell_length_c                   9.6750(7)
_cell_measurement_reflns_used    3726
_cell_measurement_temperature    100.(2)
_cell_measurement_theta_max      29.6399
_cell_measurement_theta_min      2.2338
_cell_volume                     755.49(11)
_computing_cell_refinement       'SAINT (Bruker, 2012)'
_computing_data_collection       'APEX2 (Bruker, 2012)'
_computing_data_reduction        'SAINT (Bruker, 2012)'
_computing_molecular_graphics    'DIAMOND (Brandenburg, 2012)'
_computing_publication_material
'PLATON (Spek, 2009) and publCIF (Westrip, 2010)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100.(2)
_diffrn_detector_area_resol_mean 8.3333
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker X8 Kappa APEXII'
_diffrn_measurement_method       '0.5 \% \w & \f scans'
_diffrn_radiation_monochromator  'graphite crystal'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0470
_diffrn_reflns_av_sigmaI/netI    0.0459
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            21221
_diffrn_reflns_theta_full        30.55
_diffrn_reflns_theta_max         30.55
_diffrn_reflns_theta_min         3.10
_exptl_absorpt_coefficient_mu    0.186
_exptl_absorpt_correction_T_max  0.988
_exptl_absorpt_correction_T_min  0.941
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details
;
(SADABS; Bruker, 2012)
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.346
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             320
_exptl_crystal_size_max          0.280
_exptl_crystal_size_mid          0.130
_exptl_crystal_size_min          0.070
_refine_diff_density_max         0.328
_refine_diff_density_min         -0.405
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.028
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     202
_refine_ls_number_reflns         4614
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.028
_refine_ls_R_factor_all          0.0621
_refine_ls_R_factor_gt           0.0438
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0492P)^2^+0.2304P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1019
_refine_ls_wR_factor_ref         0.1115
_reflns_number_gt                3560
_reflns_number_total             4614
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            lh5563.cif
_cod_data_source_block           I
_cod_original_cell_volume        755.49(10)
_cod_database_code               2237188
_cod_database_fobs_code          2237188