Intramolecular Arylcyanation of Alkenes Catalyzed by Nickel/AlMe2Cl
Yoshiaki Nakao; Shiro Ebata; Akira Yada; Tamejiro Hiyama; Masashi Ikawa; Sensuke Ogoshi; Journal of the American Chemical Society 130 (2008) 12874–12875; doi:10.1021/ja805088r

data_4108402
_publ_section_title
;
 Intramolecular Arylcyanation of Alkenes Catalyzed by Nickel/AlMe2Cl
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              12874
_journal_page_last               12875
_journal_paper_doi               10.1021/ja805088r
_journal_volume                  130
_journal_year                    2008
_chemical_formula_moiety         'C38 H73 Al Cl N Ni P2 '
_chemical_formula_sum            'C38 H73 Al Cl N Ni P2'
_chemical_formula_weight         727.08
_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                81.377(3)
_cell_angle_beta                 81.904(3)
_cell_angle_gamma                86.670(3)
_cell_formula_units_Z            2
_cell_length_a                   9.6659(11)
_cell_length_b                   14.4842(15)
_cell_length_c                   15.7784(18)
_cell_measurement_reflns_used    7574
_cell_measurement_temperature    123.1
_cell_measurement_theta_max      30.4
_cell_measurement_theta_min      3.1
_cell_volume                     2160.7(4)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  SHELXL
_computing_structure_solution    SIR92
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.983
_diffrn_measured_fraction_theta_max 0.983
_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  0.047
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            16298
_diffrn_reflns_theta_full        25.35
_diffrn_reflns_theta_max         25.35
_exptl_absorpt_coefficient_mu    0.629
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.117
_exptl_crystal_description       block
_exptl_crystal_F_000             792.00
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         2.60
_refine_diff_density_min         -1.01
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.183
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     407
_refine_ls_number_reflns         7790
_refine_ls_R_factor_gt           0.0866
_refine_ls_shift/su_max          0.8690
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.1736P)^2^+2.0041P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.3001
_reflns_number_gt                5315
_reflns_number_total             7790
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ja805088r_si_003.cif
_cod_data_source_block           '_080110'
_cod_original_formula_sum        'C38 H73 Al Cl N Ni P2 '
_cod_database_code               4108402