Enantioselective aza-Morita-Baylis-Hillman reaction between acrylates and N-Boc isatin ketimines: asymmetric construction of chiral 3-substituted-3-aminooxindoles.
Zhao, Xuan; Li, Tian-Ze; Qian, Jing-Ying; Sha, Feng; Wu, Xin-Yan; Organic & biomolecular chemistry 12 (2014) 8072–8078; doi:10.1039/c4ob01358a

data_7154009
_publ_section_title
;
 Enantioselective aza-Morita-Baylis-Hillman reaction between acrylates and
 N-Boc isatin ketimines: asymmetric construction of chiral
 3-substituted-3-aminooxindoles.
;
_journal_issue                   40
_journal_name_full               'Organic &amp; biomolecular chemistry'
_journal_page_first              8072
_journal_page_last               8078
_journal_paper_doi               10.1039/c4ob01358a
_journal_volume                  12
_journal_year                    2014
_chemical_formula_sum            'C24 H25 Br N2 O5'
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_cell_formula_units_Z            2
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_cell_length_c                   13.2300(18)
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_cell_volume                     1157.0(3)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
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_diffrn_radiation_monochromator  graphite
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_diffrn_reflns_limit_l_min       -12
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_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         2.20
_exptl_absorpt_coefficient_mu    1.814
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.18014
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.439
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
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_refine_ls_R_factor_all          0.0599
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_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^)+(0.0964P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1324
_refine_ls_wR_factor_ref         0.1425
_reflns_number_gt                3566
_reflns_number_total             4507
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4ob01358a2.cif
_cod_data_source_block           cd21410
_cod_depositor_comments
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The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 

 Adding full bibliography for 7154009.cif.
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_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7154009