Information card for entry 2009675

Structure parameters

• Chemical name: Methyl DL-3-Benzyl-2,2'-dioxo-1,2,3-oxathiazolidine-4-carboxylate
• Formula: C11 H13 N O5 S
• Calculated formula: C11 H13 N O5 S
• SMILES: S1(=O)(=O)OCC(N1Cc1ccccc1)C(=O)OC
• Title of publication: Methyl <small>DL</small>-3-benzyl-2,2-dioxo-1,2,3-oxathiazolidine-4-carboxylate ‒ an intermediate for amino acid synthesis
• Authors of publication: Gritsonie, Penny; Pilkington, Melanie; Wallis, John D.; Povey, David C.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 5
• Pages of publication: 763 - 765
• a: 11.758 ± 0.009 Å
• b: 10.646 ± 0.004 Å
• c: 9.922 ± 0.002 Å
• α: 90°
• β: 101.68 ± 0.02°
• γ: 90°
• Cell volume: 1216.3 ± 1.1 ų
• Cell temperature: 293 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 significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.047
• Goodness-of-fit parameter for significantly intense reflections: 1.43
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No