An Enantioselective Cascade for Simultaneous Generation of Five Quaternary Stereocenters from Fully Substituted Enones
Yang, Shu-Mei; Ganapuram, Madhusudhan Reddy; Wang, Tzu-Ping; Yeh, Yu-Sheng; Wang, Min; Lin, Wenwei; Chem. Commun.  (2017) –; doi:10.1039/C7CC03995F

data_7120283
_publ_section_title
;
 An Enantioselective Cascade for Simultaneous Generation of Five
 Quaternary Stereocenters from Fully Substituted Enones
;
_journal_name_full               'Chem. Commun.'
_journal_paper_doi               10.1039/C7CC03995F
_journal_year                    2017
_chemical_formula_moiety         'C32 H24 Br2 F3 N O8'
_chemical_formula_sum            'C32 H24 Br2 F3 N O8'
_chemical_formula_weight         767.34
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2017-01-16 deposited with the CCDC.
2017-06-15 downloaded from the CCDC.
;
_cell_angle_alpha                113.199(8)
_cell_angle_beta                 98.631(9)
_cell_angle_gamma                105.657(9)
_cell_formula_units_Z            2
_cell_length_a                   9.7847(11)
_cell_length_b                   13.1195(16)
_cell_length_c                   13.9270(15)
_cell_measurement_reflns_used    1157
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      17.46
_cell_measurement_theta_min      2.38
_cell_volume                     1514.4(3)
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1986)'
_diffrn_ambient_temperature      200(2)
_diffrn_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measurement_device_type  'Bruker APEX2'
_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  0.1156
_diffrn_reflns_av_sigmaI/netI    0.2320
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            13614
_diffrn_reflns_theta_full        25.15
_diffrn_reflns_theta_max         25.15
_diffrn_reflns_theta_min         2.26
_exptl_absorpt_coefficient_mu    2.749
_exptl_absorpt_correction_T_max  0.9730
_exptl_absorpt_correction_T_min  0.4377
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.683
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             768
_exptl_crystal_size_max          0.36
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.01
_refine_diff_density_max         0.641
_refine_diff_density_min         -0.828
_refine_diff_density_rms         0.119
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.842
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     415
_refine_ls_number_reflns         5345
_refine_ls_number_restraints     8
_refine_ls_restrained_S_all      0.842
_refine_ls_R_factor_all          0.2017
_refine_ls_R_factor_gt           0.0633
_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^)+(0.1098P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1449
_refine_ls_wR_factor_ref         0.2121
_reflns_number_gt                2177
_reflns_number_total             5345
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c7cc03995f2.cif
_cod_data_source_block           ch17409
_cod_database_code               7120283