Information card for entry 4506723

Structure parameters

• Formula: C13 H16 N2 O8
• Calculated formula: C13 H16 N2 O8
• 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: 12.6137 ± 0.001 Å
• b: 8.9398 ± 0.0007 Å
• c: 12.5452 ± 0.0008 Å
• α: 90°
• β: 103.58 ± 0.007°
• γ: 90°
• Cell volume: 1375.1 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0638
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.1242
• Weighted residual factors for all reflections included in the refinement: 0.1332
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No