Information card for entry 2236184

Structure parameters

• Chemical name: 3-Oxo-2,3-dihydro-1<i>H</i>-inden-4-yl acetate
• Formula: C11 H10 O3
• Calculated formula: C11 H10 O3
• SMILES: O=C1c2c(CC1)cccc2OC(=O)C
• Title of publication: 3-Oxo-2,3-dihydro-1<i>H</i>-inden-4-yl acetate
• Authors of publication: Lin, Hong-Yi; Chang, Che-Wei; Tsai, Hsing-Yang; Luo, Ming-Hui; Chen, Kew-Yu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 11
• Pages of publication: o3075 - o3076
• a: 9.8514 ± 0.001 Å
• b: 8.9757 ± 0.0007 Å
• c: 21.917 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1938 ± 0.4 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1386
• Residual factor for significantly intense reflections: 0.0873
• Weighted residual factors for significantly intense reflections: 0.2122
• Weighted residual factors for all reflections included in the refinement: 0.2314
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes