Pd(II)-Catalyzed Asymmetric Addition of Arylboronic Acids to Isatin-Derived Ketimines.
He, Qun; Wu, Liang; Kou, Xuezhen; Butt, Nicholas; Yang, Guoqiang; Zhang, Wanbin; Organic letters 18 (2016) 288–291; doi:10.1021/acs.orglett.5b03458

data_1542378
_publ_section_title
;
 Pd(II)-Catalyzed Asymmetric Addition of Arylboronic Acids to
 Isatin-Derived Ketimines.
;
_journal_issue                   2
_journal_name_full               'Organic letters'
_journal_page_first              288
_journal_page_last               291
_journal_paper_doi               10.1021/acs.orglett.5b03458
_journal_volume                  18
_journal_year                    2016
_chemical_formula_moiety         'C19 H18 Cl2 N2 O3 S'
_chemical_formula_sum            'C19 H18 Cl2 N2 O3 S'
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_space_group_crystal_system      monoclinic
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_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
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_cell_angle_gamma                90
_cell_formula_units_Z            4
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_cell_length_b                   11.1765(4)
_cell_length_c                   11.8469(4)
_cell_measurement_reflns_used    9880
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      68.19
_cell_measurement_theta_min      3.07
_cell_volume                     1905.44(11)
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'D8 VENTURE'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
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_diffrn_reflns_av_unetI/netI     0.0228
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_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -18
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_diffrn_reflns_number            18101
_diffrn_reflns_point_group_measured_fraction_full 0.999
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_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         68.326
_diffrn_reflns_theta_min         3.071
_exptl_absorpt_coefficient_mu    4.288
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.483
_exptl_crystal_description       block
_exptl_crystal_F_000             880
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_exptl_crystal_size_min          0.080
_refine_diff_density_max         0.386
_refine_diff_density_min         -0.403
_refine_diff_density_rms         0.054
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     244
_refine_ls_number_reflns         3496
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_refine_ls_R_factor_all          0.0335
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1000P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_refine_ls_wR_factor_ref         0.1182
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_reflns_number_gt                3266
_reflns_number_total             3507
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            ol5b03458_si_002.cif
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_cod_database_code               1542378
_shelx_estimated_absorpt_t_min   0.214
_shelx_estimated_absorpt_t_max   0.470
_shelxl_version_number           2014-3
_shelx_res_checksum              89453
_shelx_hkl_checksum              22241