Catalytic and asymmetric cyclopropanation of alkenes catalysed by rhenium(I) bipyridine and terpyridine tricarbonyl complexes.
Yeung, Chi-Tung; Teng, Pang-Fei; Yeung, Ho-Lun; Wong, Wing-Tak; Kwong, Hoi-Lun; Organic & biomolecular chemistry 5 (2007) 3859–3864; doi:10.1039/b712995e

data_7151192
_publ_section_title
;
 Catalytic and asymmetric cyclopropanation of alkenes catalysed by
 rhenium(I) bipyridine and terpyridine tricarbonyl complexes.
;
_journal_issue                   23
_journal_name_full               'Organic &amp; biomolecular chemistry'
_journal_page_first              3859
_journal_page_last               3864
_journal_paper_doi               10.1039/b712995e
_journal_volume                  5
_journal_year                    2007
_chemical_absolute_configuration rmad
_chemical_formula_moiety         'C34 H35 Br N3 O3 Re '
_chemical_formula_sum            'C34 H35 Br N3 O3 Re'
_chemical_formula_weight         799.78
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.893(2)
_cell_length_b                   14.212(3)
_cell_length_c                   28.551(6)
_cell_measurement_reflns_used    37920
_cell_measurement_temperature    301(1)
_cell_measurement_theta_max      27.7
_cell_measurement_theta_min      0.7
_cell_volume                     3202.7(13)
_computing_cell_refinement       'SAINT (Bruker, 1999)'
_computing_data_collection       'SMART (Bruker, 1998)'
_computing_data_reduction
'SAINT & CrystalStructure (Rigaku/MSC and Rigaku Corporation, 2003)'
_computing_molecular_graphics    'ORTEP-II (Johnson, 1976)'
_computing_publication_material  CrystalStructure
_computing_structure_refinement  'CRYSTALS (Watkin et al., 1996)'
_computing_structure_solution    'DIRDIF99-PATTY (Beurskens e. al. 1999)'
_diffrn_measured_fraction_theta_full 0.9862
_diffrn_measured_fraction_theta_max 0.9862
_diffrn_measurement_device_type  'Bruker SAMRT 1000 CCD'
_diffrn_measurement_method       '\w & \f scans'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.035
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       35
_diffrn_reflns_limit_l_min       -37
_diffrn_reflns_number            75842
_diffrn_reflns_theta_full        27.74
_diffrn_reflns_theta_max         27.74
_exptl_absorpt_coefficient_mu    5.085
_exptl_absorpt_correction_T_max  0.543
_exptl_absorpt_correction_T_min  0.220
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1997)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.659
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1576.00
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.12
_refine_diff_density_max         2.31
_refine_diff_density_min         -0.59
_refine_ls_abs_structure_details
'Flack, H. D. (1983), Acta Cryst. A39, 876-881.  3208 Friedel Pairs'
_refine_ls_abs_structure_Flack   -0.019(8)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.018
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     415
_refine_ls_number_reflns         6206
_refine_ls_R_factor_gt           0.0290
_refine_ls_shift/su_max          0.0140
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details
'w = 1/[0.0002Fo^2^ + 1.0000\s(Fo^2^) + 0.0195]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0290
_reflns_number_gt                6182
_reflns_number_total             7435
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            b712995e-2.txt
_cod_data_source_block           '_wt0864w-HLKwong104#1-ReBr'
_cod_original_formula_sum        'C34 H35 Br N3 O3 Re '
_cod_database_code               7151192