Catalytic Coupling of Terminal Alkynes with Isonitriles Promoted by Organoactinide Complexes
Eyal Barnea; Tamer Andrea; Moshe Kapon; Jean-Claude Berthet; Michel Ephritikhine; Moris S. Eisen; Journal of the American Chemical Society 126 (2004) 10860–10861; doi:10.1021/ja046604a

data_4112919
_publ_section_title
;
 Catalytic Coupling of Terminal Alkynes with Isonitriles Promoted by
 Organoactinide Complexes
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              10860
_journal_page_last               10861
_journal_paper_doi               10.1021/ja046604a
_journal_volume                  126
_journal_year                    2004
_chemical_formula_sum            'C22 H36 U'
_chemical_formula_weight         538.54
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           88
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-I 4ad'
_symmetry_space_group_name_H-M   'I 41/a :2'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            16
_cell_length_a                   31.8530(3)
_cell_length_b                   31.8530(3)
_cell_length_c                   8.4380(2)
_cell_measurement_temperature    293(2)
_cell_volume                     8561.3(2)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0282
_diffrn_reflns_av_sigmaI/netI    0.0625
_diffrn_reflns_limit_h_max       41
_diffrn_reflns_limit_h_min       -41
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            7964
_diffrn_reflns_theta_full        27.46
_diffrn_reflns_theta_max         27.46
_diffrn_reflns_theta_min         2.50
_exptl_absorpt_coefficient_mu    7.583
_exptl_crystal_density_diffrn    1.671
_exptl_crystal_F_000             4160
_refine_diff_density_max         0.439
_refine_diff_density_min         -1.390
_refine_diff_density_rms         0.140
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.909
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     208
_refine_ls_number_reflns         4877
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.909
_refine_ls_R_factor_all          0.0514
_refine_ls_R_factor_gt           0.0288
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0213P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0546
_refine_ls_wR_factor_ref         0.0575
_reflns_number_gt                3414
_reflns_number_total             4877
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja046604asi20040609_100805.cif
_cod_data_source_block           ucpdim
_cod_original_sg_symbol_H-M      'I 41/a'
_cod_database_code               4112919