Information card for entry 2212073

Structure parameters

• Chemical name: 2-(1-Naphthyl)isoindoline-1,3-dione
• Formula: C18 H11 N O2
• Calculated formula: C18 H11 N O2
• SMILES: O=C1N(C(=O)c2c1cccc2)c1cccc2c1cccc2
• Title of publication: 2-(1-Naphthyl)isoindoline-1,3-dione
• Authors of publication: Li, Jian; Liang, Zu-Pei; Sun, Xiao-Zheng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: o1003 - o1004
• a: 16.029 ± 0.013 Å
• b: 8.709 ± 0.007 Å
• c: 29.04 ± 0.02 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4054 ± 5 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.1324
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for significantly intense reflections: 0.1465
• Weighted residual factors for all reflections included in the refinement: 0.1846
• Goodness-of-fit parameter for all reflections included in the refinement: 1.151
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes