Enantiocontrol in the intermolecular cyclopropanation reaction catalyzed by dirhodium(ii) complexes with ortho-metalated aryl phosphine ligands
Barberis, Mario; Pérez-Prieto, Julia; Lahuerta, Pascual; Sanaú, Mercedes; Chemical Communications  (2001) 439–; doi:10.1039/b010145c

data_7114920
_publ_section_title
;
 Enantiocontrol in the intermolecular cyclopropanation reaction catalyzed
 by dirhodium(ii) complexes with ortho-metalated aryl phosphine ligands
;
_journal_issue                   5
_journal_name_full               'Chemical Communications'
_journal_page_first              439
_journal_paper_doi               10.1039/b010145c
_journal_year                    2001
_chemical_formula_sum            'C45 H36 N1.5 O2 P Rh'
_chemical_formula_weight         763.63
_space_group_IT_number           96
_symmetry_cell_setting           '? tetragonal'
_symmetry_space_group_name_Hall  'P 4nw 2abw'
_symmetry_space_group_name_H-M   'P 43 21 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            8
_cell_length_a                   14.4211(6)
_cell_length_b                   14.4211(6)
_cell_length_c                   34.489(2)
_cell_measurement_temperature    153(2)
_cell_volume                     7172.6(6)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      153(2)
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_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  0.0482
_diffrn_reflns_av_sigmaI/netI    0.0513
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       5
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       38
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            16982
_diffrn_reflns_theta_full        23.35
_diffrn_reflns_theta_max         23.35
_diffrn_reflns_theta_min         2.67
_exptl_absorpt_coefficient_mu    0.562
_exptl_crystal_density_diffrn    1.414
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3140
_refine_diff_density_max         0.483
_refine_diff_density_min         -0.798
_refine_diff_density_rms         0.065
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.04(3)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.114
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     508
_refine_ls_number_reflns         5146
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.114
_refine_ls_R_factor_all          0.0474
_refine_ls_R_factor_gt           0.0365
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w==1/[\s^2^(Fo^2^)+(0.0289P)^2^+5.2449P] where P==(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0735
_refine_ls_wR_factor_ref         0.0776
_reflns_number_gt                4529
_reflns_number_total             5146
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b010145c.txt
_cod_data_source_block           (M)-8
_cod_original_sg_symbol_H-M      '? P4(3)2(1)2'
_cod_original_formula_sum        'C45 H36 N1.50 O2 P Rh'
_cod_database_code               7114920