Three 1,3,4-trisubstituted β-lactam antibiotics
Chiaroni, Angèle; Riche, Claude; Anaya, Josefa; Gateau-Olesker, Alice; Géro, Stephan D.; Hernando, José I.M.; Acta Crystallographica Section C 50 (1994) 1474–1480; doi:10.1107/S0108270194001587

data_2010070
_publ_section_title
;
 Three 1,3,4-trisubstituted \b-lactam antibiotics
;
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1474
_journal_page_last               1480
_journal_paper_doi               10.1107/S0108270194001587
_journal_volume                  50
_journal_year                    1994
_chemical_formula_moiety         'C27 H37 N O6 S2'
_chemical_formula_sum            'C27 H37 N O6 S2'
_chemical_formula_weight         535.72
_chemical_name_systematic
;1-{[2,2,2',2'-tetramethyl-4,4'-bi(1,3-
dioxolanyl)-5-yl]-1,3-dithian-2-ylmethyl}-3-methoxy-4-(E)-styrylazetidin-2-one
;
_space_group_IT_number           1
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International_Tables_for_X-ray_Crystallography_(1974_Vol_IV_Table_2.2B)
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_diffrn_radiation_monochromator  graphite
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_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
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_refine_ls_matrix_type           userbloc
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_refine_ls_number_reflns         2392
_refine_ls_R_factor_obs          0.055
_refine_ls_shift/esd_max         0.02
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(F) + 0.006768F^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.075
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_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc w = 1/[\s^2^(F) +
0.006768F^2^]' was changed to 'calc'. New tag
'_refine_ls_weighting_details' was created. The value of the new tag
was set to 'w = 1/[\s^2^(F) + 0.006768F^2^]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        705.7(5)
_cod_database_code               2010070