Rhodium-Catalyzed Asymmetric Cyclodimerization of Oxa- and Azabicyclic Alkenes
Takahiro Nishimura; Takahiro Kawamoto; Keigo Sasaki; Eiji Tsurumaki; Tamio Hayashi; Journal of the American Chemical Society 129 (2007) 1492–1493; doi:10.1021/ja068488c

data_4109082
_publ_contact_author_email       thayashi@kuchem.kyoto-u.ac.jp
_publ_contact_author_fax         +81-75-753-3988
_publ_contact_author_name        'Tamio Hayashi'
_publ_contact_author_phone       +81-75-753-3983
_publ_section_title
;
 Rhodium-Catalyzed Asymmetric Cyclodimerization of Oxa- and Azabicyclic
 Alkenes
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              1492
_journal_page_last               1493
_journal_paper_doi               10.1021/ja068488c
_journal_volume                  129
_journal_year                    2007
_chemical_absolute_configuration 'CHOOSE rm ad rmad syn or unk'
_chemical_formula_moiety         'C20 H12 Br4 O2 '
_chemical_formula_sum            'C20 H12 Br4 O2'
_chemical_formula_weight         603.93
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      4
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_audit_creation_date             2006-08-17
_audit_creation_method           'by CrystalStructure 3.7.0'
_cell_angle_alpha                90.0000
_cell_angle_beta                 91.26(2)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            2
_cell_length_a                   10.419(5)
_cell_length_b                   7.186(3)
_cell_length_c                   12.309(6)
_cell_measurement_reflns_used    8230
_cell_measurement_temperature    123.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.3
_cell_volume                     921.4(7)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.7.0'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR92
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 1.415
_diffrn_measured_fraction_theta_max 1.415
_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  0.067
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            9122
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    8.774
_exptl_absorpt_correction_T_max  0.268
_exptl_absorpt_correction_T_min  0.076
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
    Higashi, T. (1995). Program for Absorption Correction.
    Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.177
_exptl_crystal_description       prism
_exptl_crystal_F_000             576.00
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.15
_refine_diff_density_max         3.50
_refine_diff_density_min         -2.96
_refine_ls_abs_structure_details
'Flack, H. D. (1983), Acta Cryst. A39, 876-881.'
_refine_ls_abs_structure_Flack   0.035(13)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.341
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     248
_refine_ls_number_reflns         9122
_refine_ls_R_factor_gt           0.0471
_refine_ls_shift/su_max          0.0007
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/\s^2^(Fo)'
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_ref         0.0611
_reflns_number_gt                7845
_reflns_number_total             9122
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ja068488csi20061127_094123.cif
_cod_data_source_block           '_060817yuki'
_cod_original_formula_sum        'C20 H12 Br4 O2 '
_cod_database_code               4109082