Information card for entry 2221959

Structure parameters

• Chemical name: 2-Acetonyl-2-hydroxyindan-1,3-dione
• Formula: C12 H10 O4
• Calculated formula: C12 H10 O4
• SMILES: O=C1c2ccccc2C(=O)C1(O)CC(=O)C
• Title of publication: 2-Acetonyl-2-hydroxyindan-1,3-dione
• Authors of publication: Fun, Hoong-Kun; Quah, Ching Kheng; Parveen, Mehtab; Ghalib, Raza Murad; Mehdi, Sayed Hasan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 6
• Pages of publication: o1209
• a: 18.119 ± 0.0002 Å
• b: 8.8135 ± 0.0001 Å
• c: 6.2585 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 999.43 ± 0.02 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 3
• 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: 0.0377
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0924
• Weighted residual factors for all reflections included in the refinement: 0.1056
• Goodness-of-fit parameter for all reflections included in the refinement: 1.181
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes