Information card for entry 4506722

Structure parameters

• Formula: C13 H16 N2 O8
• Calculated formula: C13 H16 N2 O8
• SMILES: C(=O)(CN1C(=O)C[C@@H](C1)O)N.C(=O)(c1cc(c(c(c1)O)O)O)O
• Title of publication: Enhancing the Hygroscopic Stability ofS-Oxiracetam via Pharmaceutical Cocrystals
• Authors of publication: Wang, Zi-Zhou; Chen, Jia-Mei; Lu, Tong-Bu
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 9
• Pages of publication: 4562
• a: 12.46022 ± 0.00013 Å
• b: 8.87772 ± 0.00008 Å
• c: 12.73088 ± 0.00012 Å
• α: 90°
• β: 103.052 ± 0.001°
• γ: 90°
• Cell volume: 1371.88 ± 0.02 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0368
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0927
• Weighted residual factors for all reflections included in the refinement: 0.0954
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No