Highly enantioselective carbonyl-ene reactions catalyzed by a hindered silyl-salen-cobalt complex.
Hutson, Gerri E.; Dave, Apurva H.; Rawal, Viresh H.; Organic letters 9 (2007) 3869–3872; doi:10.1021/ol071342d

data_1505487
_publ_section_title
;
 Highly enantioselective carbonyl-ene reactions catalyzed by a hindered
 silyl-salen-cobalt complex.
;
_journal_issue                   20
_journal_name_full               'Organic letters'
_journal_page_first              3869
_journal_page_last               3872
_journal_paper_doi               10.1021/ol071342d
_journal_volume                  9
_journal_year                    2007
_chemical_formula_sum            'C67.5 H105 Co F6 N2 O5 Sb Si2'
_chemical_formula_weight         1375.40
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           4
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_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                 99.361(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   10.909(3)
_cell_length_b                   14.832(4)
_cell_length_c                   22.953(6)
_cell_measurement_temperature    100(2)
_cell_volume                     3664.4(17)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.969
_diffrn_measured_fraction_theta_max 0.969
_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  0.0408
_diffrn_reflns_av_sigmaI/netI    0.0807
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            43131
_diffrn_reflns_theta_full        28.31
_diffrn_reflns_theta_max         28.31
_diffrn_reflns_theta_min         1.64
_exptl_absorpt_coefficient_mu    0.688
_exptl_absorpt_correction_T_max  0.9599
_exptl_absorpt_correction_T_min  0.7705
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
absorption corrections were made based on correspondance of
equivalent intensities usingprogram SADABS (G. Sheldrick, Bruker 
Analytical X-ray Systems, Madison, WI)
;
_exptl_crystal_density_diffrn    1.246
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1448
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.32
_exptl_crystal_size_min          0.06
_refine_diff_density_max         1.397
_refine_diff_density_min         -0.873
_refine_diff_density_rms         0.079
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.006(13)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.947
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     792
_refine_ls_number_reflns         17271
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      0.947
_refine_ls_R_factor_all          0.0729
_refine_ls_R_factor_gt           0.0536
_refine_ls_shift/su_max          0.014
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0608P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1140
_refine_ls_wR_factor_ref         0.1197
_reflns_number_gt                12834
_reflns_number_total             17271
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ol071342d-file005.cif
_cod_data_source_block           gerri01s
_cod_original_cell_volume        3664.5(15)
_cod_original_sg_symbol_H-M      P21
_cod_original_formula_sum        'C67.50 H105 Co F6 N2 O5 Sb Si2'
_cod_database_code               1505487