Palladium Catalyzed Asymmetric Three-Component Coupling of Boronic Esters, Indoles, and Allylic Acetates.
Panda, Santanu; Ready, Joseph M.; Journal of the American Chemical Society 139 (2017) 6038–6041; doi:10.1021/jacs.7b01410

data_4126098
_publ_section_title
;
 Palladium Catalyzed Asymmetric Three-Component Coupling of Boronic
 Esters, Indoles, and Allylic Acetates.
;
_journal_issue                   17
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              6038
_journal_page_last               6041
_journal_paper_doi               10.1021/jacs.7b01410
_journal_volume                  139
_journal_year                    2017
_chemical_absolute_configuration ad
_chemical_formula_moiety         'C21 H19 Br2 N'
_chemical_formula_sum            'C21 H19 Br2 N'
_chemical_formula_weight         445.19
_space_group_crystal_system      monoclinic
_space_group_IT_number           4
_space_group_name_Hall           'P 2yb'
_space_group_name_H-M_alt        'P 1 21 1'
_symmetry_space_group_name_Hall  'P 2yb'
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_cell_volume                     3665.1(6)
_computing_cell_refinement       'CrystalClear (Rigaku Inc., 2008)'
_computing_data_collection       'CrystalClear (Rigaku Inc., 2008)'
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;

SHELXT.  (2015).  G. M. Sheldrick.  
;
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_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_unetI/netI     0.0474
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_diffrn_reflns_theta_full        25.242
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_diffrn_reflns_theta_min         2.996
_diffrn_source                   'sealed fine focus tube'
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_exptl_absorpt_correction_T_max  1.00
_exptl_absorpt_correction_T_min  0.548
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
Abscor. T. Higashi (2001). The Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            colorless
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_exptl_crystal_size_mid          0.200
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_refine_ls_abs_structure_details
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   -0.001(6)
_refine_ls_extinction_method     none
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.0284P)^2^+1.9586P] where P=(Fo^2^+2Fc^2^)/3'
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_reflns_threshold_expression     'I > 2\s(I)'
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_shelx_estimated_absorpt_t_max   0.538
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