Box-copper catalyzed cascade asymmetric amidation for chiral <i>exo</i>-methylene aminoindoline derivatives.
Yang, Xiao-Peng; Lv, Hao-Peng; Yang, Hao-Di; Wang, Bai-Lin; Wang, Xing-Wang; Organic & biomolecular chemistry 19 (2021) 9373–9378; doi:10.1039/d1ob01242h

data_7158336
_publ_section_title
;
 Box-copper catalyzed cascade asymmetric amidation for chiral
 <i>exo</i>-methylene aminoindoline derivatives.
;
_journal_issue                   43
_journal_name_full               'Organic &amp; biomolecular chemistry'
_journal_page_first              9373
_journal_page_last               9378
_journal_paper_doi               10.1039/d1ob01242h
_journal_volume                  19
_journal_year                    2021
_chemical_absolute_configuration unk
_chemical_formula_sum            'C27 H26 Br2 N2 O4 S'
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_space_group_IT_number           19
_space_group_name_Hall           'P 2ac 2ab'
_space_group_name_H-M_alt        'P 21 21 21'
_atom_sites_solution_hydrogens   geom
_audit_block_doi                 10.5517/ccdc.csd.cc26hm7l
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_audit_update_record
;
2020-10-27 deposited with the CCDC.	2021-10-07 downloaded from the CCDC.
;
_cell_angle_alpha                90
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_cell_angle_gamma                90
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_diffrn_measurement_device_type  'Xcalibur, Atlas, Gemini'
_diffrn_measurement_method       '\w scans'
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_exptl_crystal_description       block
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_refine_ls_abs_structure_details
;
 Flack x determined using 1863 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.02(2)
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
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_refine_ls_shift/su_max          0.000
_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
_refine_ls_wR_factor_gt          0.1504
_refine_ls_wR_factor_ref         0.1540
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_reflns_number_gt                5016
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_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d1ob01242h2.cif
_cod_data_source_block           g200909b
_cod_depositor_comments          'Adding full bibliography for 7158336.cif.'
_cod_original_cell_volume        2679.54(11)
_cod_database_code               7158336
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.195
_shelx_estimated_absorpt_t_max   0.443
_shelx_res_checksum              17660