Acyclic Remote 1,5- and 1,4,5-Stereocontrol in the Catalytic Stereoselective Reactions of β-Lactams with Aldehydes: The Effect of the N-Methylimidazole Ligand.
Plata, Paulina; Klimczak, Urszula; Zambroń, Bartosz K; The Journal of organic chemistry 83 (2018) 14527–14552; doi:10.1021/acs.joc.8b02333

data_4035681
_publ_section_title
;
 Acyclic Remote 1,5- and 1,4,5-Stereocontrol in the Catalytic
 Stereoselective Reactions of \b-Lactams with Aldehydes: The Effect of the
 N-Methylimidazole Ligand.
;
_journal_issue                   23
_journal_name_full               'The Journal of organic chemistry'
_journal_page_first              14527
_journal_page_last               14552
_journal_paper_doi               10.1021/acs.joc.8b02333
_journal_volume                  83
_journal_year                    2018
_chemical_formula_moiety         'C29 H43 N O5 S Si, C6 H14'
_chemical_formula_sum            'C35 H57 N O5 S Si'
_chemical_formula_weight         631.96
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
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_cell_angle_alpha                90
_cell_angle_beta                 112.5506(18)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   19.8813(7)
_cell_length_b                   8.7695(3)
_cell_length_c                   23.6954(8)
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_cell_measurement_temperature    153(2)
_cell_measurement_theta_max      66.53
_cell_measurement_theta_min      3.83
_cell_volume                     3815.4(2)
_computing_cell_refinement       'Bruker SAINT'
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_diffrn_ambient_temperature      153(2)
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_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0798
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_diffrn_reflns_Laue_measured_fraction_full 0.831
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_diffrn_reflns_limit_l_min       -24
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_diffrn_reflns_point_group_measured_fraction_full 0.831
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_diffrn_source                   'fine-focus sealed tube'
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_exptl_absorpt_correction_T_min  0.7250
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_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.100
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             1376
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_refine_ls_number_reflns         5750
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_refine_ls_restrained_S_all      1.080
_refine_ls_R_factor_all          0.1741
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_refine_ls_shift/su_max          0.084
_refine_ls_shift/su_mean         0.004
_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.1644P)^2^] where P=(Fo^2^+2Fc^2^)/3'
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_reflns_number_total             5750
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            jo8b02333_si_002.cif
_cod_data_source_block           BZ_G97d_A_0m
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4035681
_shelx_estimated_absorpt_t_min   0.625
_shelx_estimated_absorpt_t_max   0.793
_shelxl_version_number           2014-3
_shelx_res_checksum              91690
_shelx_hkl_checksum              83791