Information card for entry 2231295

Structure parameters

• Chemical name: 3,8-Dimethylacenaphthylene-1,2-dione
• Formula: C14 H10 O2
• Calculated formula: C14 H10 O2
• SMILES: O=C1C(=O)c2c3c1c(C)ccc3ccc2C
• Title of publication: 3,8-Dimethylacenaphthylene-1,2-dione
• Authors of publication: He, Shu-hua
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 8
• Pages of publication: o2130
• a: 7.5415 ± 0.0008 Å
• b: 8.5562 ± 0.0011 Å
• c: 9.8925 ± 0.0012 Å
• α: 67.891 ± 0.011°
• β: 88.31 ± 0.009°
• γ: 63.998 ± 0.011°
• Cell volume: 524.45 ± 0.13 ų
• Cell temperature: 293.15 K
• Ambient diffraction temperature: 293.15 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.084
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for significantly intense reflections: 0.1266
• Weighted residual factors for all reflections included in the refinement: 0.1476
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes