Information card for entry 2205694

Structure parameters

• Formula: C14 H11 N O5 S
• Calculated formula: C14 H11 N O5 S
• SMILES: S(=O)(=O)(ON1C(=O)CCC1=O)c1cc2ccccc2cc1
• Title of publication: 1-[(2-Naphthylsulfonyl)oxy]pyrrolidine-2,5-dione
• Authors of publication: Stefanowicz, Piotr; Jaremko, Łukasz; Jaremko, Mariusz; Lis, Tadeusz
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 5
• Pages of publication: o1326 - o1328
• a: 12.09 ± 0.003 Å
• b: 13.403 ± 0.003 Å
• c: 8.157 ± 0.003 Å
• α: 90°
• β: 95.79 ± 0.03°
• γ: 90°
• Cell volume: 1315 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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 all reflections: 0.0704
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.1212
• Weighted residual factors for all reflections included in the refinement: 0.1333
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes