Direct Asymmetric Vinylogous Mannich Addition of 3,5-Disubstituted-4-nitroisoxazoles to Isatin-Derived Imines Catalyzed by a Bifunctional Phase-Transfer-Catalyst.
Xia, Xuejian; Zhu, Qiongqiong; Wang, Jing; Chen, Jie; Cao, Weiguo; Zhu, Bo; Wu, Xiaoyu; The Journal of organic chemistry 83 (2018) 14617–14625; doi:10.1021/acs.joc.8b02439

data_4035686
_publ_section_title
;
 Direct Asymmetric Vinylogous Mannich Addition of
 3,5-Disubstituted-4-nitroisoxazoles to Isatin-Derived Imines Catalyzed by
 a Bifunctional Phase-Transfer-Catalyst.
;
_journal_issue                   23
_journal_name_full               'The Journal of organic chemistry'
_journal_page_first              14617
_journal_page_last               14625
_journal_paper_doi               10.1021/acs.joc.8b02439
_journal_volume                  83
_journal_year                    2018
_chemical_formula_sum            'C19 H21 Br N4 O6'
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_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
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_cell_length_c                   19.857(7)
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_cell_measurement_temperature    296(2)
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_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.980
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
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_diffrn_reflns_av_unetI/netI     0.0392
_diffrn_reflns_Laue_measured_fraction_full 0.980
_diffrn_reflns_Laue_measured_fraction_max 0.997
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_diffrn_reflns_limit_h_min       -12
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_diffrn_reflns_point_group_measured_fraction_full 0.980
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_diffrn_reflns_theta_max         25.048
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_exptl_absorpt_coefficient_mu    1.848
_exptl_absorpt_correction_T_max  0.8815
_exptl_absorpt_correction_T_min  0.7441
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            white
_exptl_crystal_density_diffrn    1.406
_exptl_crystal_description       block
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_exptl_crystal_size_mid          0.120
_exptl_crystal_size_min          0.070
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_refine_ls_extinction_method     none
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_refine_ls_R_factor_all          0.0747
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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^)+(0.0442P)^2^+0.4896P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0899
_refine_ls_wR_factor_ref         0.1025
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2557
_reflns_number_total             4022
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           180605a_0m
_cod_original_cell_volume        2273.6(14)
_cod_original_sg_symbol_H-M      'P 21/n'
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_shelx_estimated_absorpt_t_min   0.744
_shelx_estimated_absorpt_t_max   0.882
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_shelx_res_checksum              56875
_shelx_hkl_checksum              9278