Copper-catalyzed multicomponent reaction: facile access to novel phosphorus amidines.
Cui, Sun-Liang; Wang, Jing; Wang, Yan-Guang; Organic letters 10 (2008) 1267–1269; doi:10.1021/ol800160q

data_1504591
_publ_section_title
;
 Copper-catalyzed multicomponent reaction: facile access to novel
 phosphorus amidines.
;
_journal_issue                   6
_journal_name_full               'Organic letters'
_journal_page_first              1267
_journal_page_last               1269
_journal_paper_doi               10.1021/ol800160q
_journal_volume                  10
_journal_year                    2008
_chemical_formula_moiety         'C38 H31 N2 O2 P S '
_chemical_formula_sum            'C38 H31 N2 O2 P S'
_chemical_formula_weight         610.71
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                103.9954(13)
_cell_angle_beta                 112.3908(10)
_cell_angle_gamma                97.9045(11)
_cell_formula_units_Z            2
_cell_length_a                   11.2087(5)
_cell_length_b                   12.0664(5)
_cell_length_c                   13.4025(6)
_cell_measurement_reflns_used    10766
_cell_measurement_temperature    296(1)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.0
_cell_volume                     1572.08(12)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.7.0'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SHELXS97
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_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  0.025
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            15584
_diffrn_reflns_theta_full        27.46
_diffrn_reflns_theta_max         27.46
_exptl_absorpt_coefficient_mu    0.191
_exptl_absorpt_correction_T_max  0.950
_exptl_absorpt_correction_T_min  0.916
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
    Higashi, T. (1995). Program for Absorption Correction.
    Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.290
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       chunk
_exptl_crystal_F_000             640.00
_exptl_crystal_size_max          0.41
_exptl_crystal_size_mid          0.38
_exptl_crystal_size_min          0.27
_refine_diff_density_max         0.25
_refine_diff_density_min         -0.27
_refine_ls_extinction_coef       142(28)
_refine_ls_extinction_method
'Larson (1970) Crystallographic Computing eq. 22'
_refine_ls_goodness_of_fit_ref   1.007
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     398
_refine_ls_number_reflns         4238
_refine_ls_R_factor_gt           0.0401
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[0.0014Fo^2^ + 1.0000\s(Fo^2^)]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1056
_reflns_number_gt                4238
_reflns_number_total             7135
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ol800160q-file003.cif
_cod_data_source_block           '_csl-0702'
_cod_original_formula_sum        'C38 H31 N2 O2 P S '
_cod_database_code               1504591