The azomethine ylide strategy for β-lactam synthesis. Azapenams and 1-azacephams
Brown, David; Brown, Giles A.; Andrews, Mark; Large, Jonathan M.; Urban, Dominique; Butts, Craig P.; Hales, Neil J.; Gallagher, Timothy; Journal of the Chemical Society, Perkin Transactions 1  (2002) 2014–2021; doi:10.1039/b203890k

data_7204436
_publ_section_title
;
 The azomethine ylide strategy for \b-lactam synthesis. Azapenams and
 1-azacephams
;
_journal_issue                   17
_journal_name_full
'Journal of the Chemical Society, Perkin Transactions 1'
_journal_page_first              2014
_journal_page_last               2021
_journal_paper_doi               10.1039/b203890k
_journal_year                    2002
_chemical_formula_sum            'C30 H25 N3 O7 S'
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_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
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_atom_sites_solution_primary     direct
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_computing_cell_refinement       'SMART (Siemens, 1995b)'
_computing_data_collection       'SMART (Siemens, 1995b)'
_computing_data_reduction        'SMART (Siemens, 1995b)'
_computing_molecular_graphics    'SHELXTL (Siemens, 1995a)'
_computing_publication_material  'SHELXTL (Siemens, 1995a)'
_computing_structure_refinement  'SHELXTL (Siemens, 1995a)'
_computing_structure_solution    'SHELXTL (Siemens, 1995a)'
_diffrn_ambient_temperature      173(2)
_diffrn_measurement_device       'Siemens SMART Area Detector'
_diffrn_measurement_method       '\w rotation with narrow frames'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0672
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_diffrn_reflns_limit_h_min       -56
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
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_diffrn_reflns_theta_min         1.80
_exptl_absorpt_coefficient_mu    0.177
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            Colourless
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_exptl_crystal_density_method    None
_exptl_crystal_description       Rectangular
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_exptl_crystal_size_max          .65
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_refine_ls_hydrogen_treatment    noref
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_refine_ls_restrained_S_obs      1.115
_refine_ls_R_factor_all          0.1021
_refine_ls_R_factor_gt           0.0491
_refine_ls_shift/esd_mean        0.000
_refine_ls_shift/su_max          0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.1185
_refine_ls_wR_factor_ref         0.0992
_reflns_number_gt                3655
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_reflns_threshold_expression     >2sigma(I)
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_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        5333.9(18)
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7204436