Organocatalytic Enantioselective Direct Vinylogous Michael Addition of α,β-Unsaturated γ-Butyrolactam to β-Acyl Acrylates and 1,2-Diacylethylenes.
Chen, Yi-Ru; Das, Utpal; Liu, Meng-Hsien; Lin, Wenwei; The Journal of organic chemistry 80 (2015) 1985–1992; doi:10.1021/jo5027047

data_4030456
_publ_section_title
;
 Organocatalytic Enantioselective Direct Vinylogous Michael Addition of
 \a,\b-Unsaturated \g-Butyrolactam to \b-Acyl Acrylates and
 1,2-Diacylethylenes.
;
_journal_issue                   3
_journal_name_full               'The Journal of organic chemistry'
_journal_page_first              1985
_journal_page_last               1992
_journal_paper_doi               10.1021/jo5027047
_journal_volume                  80
_journal_year                    2015
_chemical_absolute_configuration unk
_chemical_formula_moiety         'C26 H26 Br N O6'
_chemical_formula_sum            'C26 H26 Br N O6'
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_cell_angle_alpha                90.00
_cell_angle_beta                 103.682(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   10.1214(4)
_cell_length_b                   7.5832(3)
_cell_length_c                   16.0129(7)
_cell_measurement_reflns_used    0
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      0
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_cell_volume                     1194.16(9)
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
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_computing_structure_solution    'SHELXS-86 (Sheldrick, 1986)'
_diffrn_ambient_temperature      200(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
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_diffrn_reflns_av_sigmaI/netI    0.0614
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_diffrn_reflns_limit_l_min       -19
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_exptl_absorpt_correction_T_max  0.9170
_exptl_absorpt_correction_T_min  0.4278
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_exptl_crystal_colour            colorless
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_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             544
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_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.008(7)
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0203P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0684
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_reflns_number_gt                2974
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'Adding full bibliography for 4030454--4030457.cif.'
_cod_original_cell_volume        1194.16(8)
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               4030456