Highly Regioselective Simultaneous Introduction of Phosphino and Seleno Groups into Unsaturated Bonds by the Novel Combination of (Ph2P)2 and (PhSe)2 upon Photoirradiation
Shin-ichi Kawaguchi; Takamune Shirai; Takashi Ohe; Akihiro Nomoto; Motohiro Sonoda; Akiya Ogawa; Journal of Organic Chemistry 74 (2009) 1751–1754; doi:10.1021/jo8020067

data_4024323
_publ_section_title
;
Highly Regioselective Simultaneous Introduction of Phosphino and Seleno
Groups into Unsaturated Bonds by the Novel Combination of (Ph2P)2 and
(PhSe)2 upon Photoirradiation
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              1751
_journal_page_last               1754
_journal_paper_doi               10.1021/jo8020067
_journal_volume                  74
_journal_year                    2009
_chemical_formula_moiety         'C27 H29 O P Se '
_chemical_formula_sum            'C27 H29 O P Se'
_chemical_formula_weight         479.46
_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'
_audit_creation_date             2007-07-02
_audit_creation_method           'by CrystalStructure 3.8'
_cell_angle_alpha                90.0000
_cell_angle_beta                 92.909(18)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   19.493(7)
_cell_length_b                   5.7226(16)
_cell_length_c                   21.742(10)
_cell_measurement_reflns_used    12223
_cell_measurement_temperature    296.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.0
_cell_volume                     2422.3(15)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR92
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.979
_diffrn_measured_fraction_theta_max 0.979
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.051
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            5442
_diffrn_reflns_theta_full        27.47
_diffrn_reflns_theta_max         27.47
_exptl_absorpt_coefficient_mu    1.632
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.315
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             992.00
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.37
_refine_diff_density_min         -1.31
_refine_ls_extinction_coef       67(19)
_refine_ls_extinction_method
'Larson (1970) Crystallographic Computing eq. 22'
_refine_ls_goodness_of_fit_ref   1.043
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     301
_refine_ls_number_reflns         3396
_refine_ls_R_factor_gt           0.0741
_refine_ls_shift/su_max          0.0016
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details
;
    Chebychev polynomial with 3 parameters (Carruthers & Watkin, 1979)
    38.6305    47.3229    13.7005
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0812
_reflns_number_gt                3367
_reflns_number_total             5442
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            jo8020067_si_002.cif
_cod_data_source_block           '_shira179PTLC2'
_cod_original_formula_sum        'C27 H29 O P Se '
_cod_database_code               4024323