Information card for entry 2201828

Structure parameters

• Chemical name: N,N'-Carbonyldisuccinimide
• Formula: C9 H8 N2 O5
• Calculated formula: C9 H8 N2 O5
• SMILES: C1(=O)CCC(=O)N1C(=O)N1C(=O)CCC1=O
• Title of publication: <i>N,N</i>'-Carbonyldisuccinimide
• Authors of publication: Simon, Monika; Csunderlik, Carol; Jones, Peter G.; Neda, Ion; Tarta-Micle, Andreea
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 5
• Pages of publication: o686 - o687
• a: 7.2372 ± 0.0011 Å
• b: 13.396 ± 0.002 Å
• c: 9.5519 ± 0.0012 Å
• α: 90°
• β: 90.01 ± 0.02°
• γ: 90°
• Cell volume: 926.1 ± 0.2 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 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: 0.0373
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0886
• Weighted residual factors for all reflections included in the refinement: 0.0905
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes