Information card for entry 7151605

Structure parameters

• Formula: C20 H24 N2 O5 S
• Calculated formula: C20 H24 N2 O5 S
• SMILES: N1([C@H](SC([C@H]1C(=O)OC)(C)C)C=C(C)C)C(=O)C(=O)ON=Cc1ccccc1.N1([C@@H](SC([C@@H]1C(=O)OC)(C)C)C=C(C)C)C(=O)C(=O)ON=Cc1ccccc1
• Title of publication: Preparation of beta- and gamma-lactams from carbamoyl radicals derived from oxime oxalate amides.
• Authors of publication: Scanlan, Eoin M.; Slawin, Alexandra M. Z.; Walton, John C.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2004
• Journal volume: 2
• Journal issue: 5
• Pages of publication: 716 - 724
• a: 8.9072 ± 0.0013 Å
• b: 18.141 ± 0.003 Å
• c: 12.9956 ± 0.0019 Å
• α: 90°
• β: 94.949 ± 0.003°
• γ: 90°
• Cell volume: 2092.1 ± 0.6 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0405
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0831
• Weighted residual factors for all reflections included in the refinement: 0.0868
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No