Novel cofacial oxidative coupling reaction of phosphinine in the presence of CuI and ClO4-.
Kojima, Takahiko; Ishioka, Yoshitaka; Matsuda, Yoshihisa; Chemical communications (Cambridge, England)  (2004) 366–367; doi:10.1039/b308892h

data_7102456
_publ_section_title
;
 Novel cofacial oxidative coupling reaction of phosphinine in the
 presence of CuI and ClO4-.
;
_journal_issue                   4
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              366
_journal_page_last               367
_journal_paper_doi               10.1039/b308892h
_journal_year                    2004
_chemical_formula_sum            'C92 H68 O6 P4'
_chemical_formula_weight         1393.44
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 116.1286(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   23.4513(5)
_cell_length_b                   13.4607(2)
_cell_length_c                   24.5485(5)
_cell_measurement_reflns_used    63005
_cell_measurement_temperature    296.2
_cell_measurement_theta_max      27.4
_cell_measurement_theta_min      2.2
_cell_volume                     6957.3(2)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        'teXsan Ver. 1.11'
_computing_publication_material  'teXsan Ver. 1.11'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    SHELXS97
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.9915
_diffrn_measured_fraction_theta_max 0.9915
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID Imaging Plate'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.088
_diffrn_reflns_limit_h_max       30
_diffrn_reflns_limit_h_min       -30
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            62800
_diffrn_reflns_theta_full        27.42
_diffrn_reflns_theta_max         27.42
_exptl_absorpt_coefficient_mu    0.169
_exptl_absorpt_correction_T_max  0.967
_exptl_absorpt_correction_T_min  0.561
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Higashi, 1995)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.330
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_size_max          0.400
_exptl_crystal_size_mid          0.350
_exptl_crystal_size_min          0.200
_refine_diff_density_max         1.08
_refine_diff_density_min         -1.34
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.017
_refine_ls_hydrogen_treatment    noref
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_refine_ls_number_reflns         15730
_refine_ls_R_factor_gt           0.0719
_refine_ls_shift/su_max          0.0218
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.08000(Max(Fo^2^,0) + 2Fc^2^)/3)^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1854
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_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            b308892h.txt
_cod_data_source_block           ishioka1
_cod_original_formula_sum        'C92 H68 O6 P4 '
_cod_database_code               7102456