Information card for entry 1520258

Structure parameters

• Chemical name: Succinic Acid & 2-pyrrolidinone
• Formula: C12 H20 N2 O6
• Calculated formula: C12 H20 N2 O6
• SMILES: OC(=O)CCC(=O)O.O=C1NCCC1.O=C1NCCC1
• Title of publication: Succinic Acid Di-2-pyrrolidinone
• Authors of publication: Callear, Samantha K.; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2008
• Pages of publication: 466
• a: 5.749 ± 0.003 Å
• b: 6.541 ± 0.003 Å
• c: 9.903 ± 0.005 Å
• α: 80.4 ± 0.02°
• β: 78.7 ± 0.02°
• γ: 71.71 ± 0.03°
• Cell volume: 344.5 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1812
• Residual factor for significantly intense reflections: 0.0722
• Weighted residual factors for significantly intense reflections: 0.1665
• Weighted residual factors for all reflections included in the refinement: 0.2185
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No