Enantioselective vinylogous Michael addition of β,γ-unsaturated butenolide to 2-iminochromenes
Gupta, Vijay; Singh, Ravi P.; New Journal of Chemistry 43 (2019) 9771–; doi:10.1039/C9NJ01584A

data_7058451
_publ_section_title
;
 Enantioselective vinylogous Michael addition of \b,\g-unsaturated
 butenolide to 2-iminochromenes
;
_journal_issue                   25
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              9771
_journal_paper_doi               10.1039/C9NJ01584A
_journal_volume                  43
_journal_year                    2019
_chemical_formula_moiety         'C16 H14 N2 O3'
_chemical_formula_sum            'C16 H14 N2 O3'
_chemical_formula_weight         282.29
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2019-01-07 deposited with the CCDC.    2019-06-04 downloaded from the CCDC.
;
_cell_angle_alpha                79.963(15)
_cell_angle_beta                 87.426(16)
_cell_angle_gamma                86.68(2)
_cell_formula_units_Z            2
_cell_length_a                   6.158(5)
_cell_length_b                   7.899(6)
_cell_length_c                   14.325(10)
_cell_measurement_reflns_used    7075
_cell_measurement_temperature    305(2)
_cell_measurement_theta_max      20.61
_cell_measurement_theta_min      2.29
_cell_volume                     684.6(9)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      305(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0612
_diffrn_reflns_av_unetI/netI     0.0459
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       8
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_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            21232
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.458
_diffrn_reflns_theta_min         2.622
_exptl_absorpt_coefficient_mu    0.096
_exptl_absorpt_correction_T_max  0.986
_exptl_absorpt_correction_T_min  0.982
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            white
_exptl_crystal_density_diffrn    1.369
_exptl_crystal_density_meas      1.369
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             296.0
_exptl_crystal_size_max          0.19
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_refine_diff_density_max         0.628
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_refine_ls_extinction_method     none
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_refine_ls_number_reflns         3437
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.830
_refine_ls_R_factor_all          0.1088
_refine_ls_R_factor_gt           0.0638
_refine_ls_shift/su_max          0.047
_refine_ls_shift/su_mean         0.004
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1000P)^2^+0.8875P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1616
_refine_ls_wR_factor_ref         0.1934
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2315
_reflns_number_total             3459
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c9nj01584a2.cif
_cod_data_source_block           vijay01_0m_a
_cod_depositor_comments          'Adding full bibliography for 7058451.cif.'
_cod_original_cell_volume        684.5(9)
_cod_database_code               7058451
_shelx_shelxl_version_number     2014/7
_shelx_res_checksum              98679