Alkenylzirconocene-Mediated Preparation of Alkenylphosphines
Taichi Miyaji; Zhenfeng Xi; Masamichi Ogasawara; Kiyohiko Nakajima; Tamotsu Takahashi; Journal of Organic Chemistry 72 (2007) 8737–8740; doi:10.1021/jo071089v

data_4022968
_publ_section_title
;
 Alkenylzirconocene-Mediated Preparation of Alkenylphosphines
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              8737
_journal_page_last               8740
_journal_paper_doi               10.1021/jo071089v
_journal_volume                  72
_journal_year                    2007
_chemical_formula_moiety         'C48 H62 Cl2 Cu2 P2 '
_chemical_formula_sum            'C48 H62 Cl2 Cu2 P2'
_chemical_formula_weight         898.96
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_audit_creation_date             'Fri Aug 24 19:57:40 2001'
_audit_creation_method           'by teXsan'
_cell_angle_alpha                90
_cell_angle_beta                 111.392(3)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   14.335(1)
_cell_length_b                   9.7073(6)
_cell_length_c                   18.188(1)
_cell_measurement_reflns_used    14567
_cell_measurement_temperature    298.2
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      2.4
_cell_volume                     2356.6(3)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        'teXsan Ver. 1.10'
_computing_publication_material  'teXsan Ver. 1.10'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    SIR92
_diffrn_measured_fraction_theta_full 0.9114
_diffrn_measured_fraction_theta_max 0.9114
_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  0.034
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            11765
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    1.114
_exptl_absorpt_correction_T_max  0.790
_exptl_absorpt_correction_T_min  0.686
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details   '(Higashi, 1999)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.267
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_size_max          0.500
_exptl_crystal_size_mid          0.250
_exptl_crystal_size_min          0.200
_refine_diff_density_max         0.56
_refine_diff_density_min         -0.44
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.701
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     244
_refine_ls_number_reflns         3135
_refine_ls_R_factor_gt           0.0488
_refine_ls_shift/su_max          0.0009
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00063|Fo|^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0690
_reflns_number_gt                3135
_reflns_number_total             4929
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            jo071089v-File003.cif
_cod_data_source_block           miya228
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C48 H62 Cl2 Cu2 P2 '
_cod_database_code               4022968