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_7204437
_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            'C22 H17 Cl2 N3 O7'
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_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
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_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL
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_cell_angle_beta                 80.677(3)
_cell_angle_gamma                79.668(3)
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_cell_length_b                   11.908(2)
_cell_length_c                   12.814(2)
_cell_measurement_reflns_used    156
_cell_measurement_temperature    173(2)
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_cell_measurement_theta_min      1.75
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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_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.986
_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  0.0296
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_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
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_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            11461
_diffrn_reflns_theta_full        27.55
_diffrn_reflns_theta_max         27.55
_diffrn_reflns_theta_min         1.76
_exptl_absorpt_coefficient_mu    0.350
_exptl_absorpt_correction_type   none
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_refine_ls_restrained_S_obs      1.103
_refine_ls_R_factor_all          0.0610
_refine_ls_R_factor_gt           0.0382
_refine_ls_shift/esd_mean        0.000
_refine_ls_shift/su_max          0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.1042
_refine_ls_wR_factor_ref         0.0986
_reflns_number_gt                3374
_reflns_number_total             4958
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b203890k.txt
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_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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        1088.1(3)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7204437