Information card for entry 2236740

Structure parameters

• Chemical name: 4-Hydroxyindan-1-one
• Formula: C9 H8 O2
• Calculated formula: C9 H8 O2
• SMILES: Oc1cccc2c1CCC2=O
• Title of publication: 4-Hydroxyindan-1-one
• Authors of publication: Chang, Che-Wei; Fang, Sin-Kai; Luo, Ming-Hui; Tsai, Hsing-Yang; Chen, Kew-Yu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 11
• Pages of publication: o3097
• a: 13.589 ± 0.0006 Å
• b: 8.616 ± 0.0003 Å
• c: 13.9435 ± 0.0006 Å
• α: 90°
• β: 116.738 ± 0.006°
• γ: 90°
• Cell volume: 1457.98 ± 0.13 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.057
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.11
• Weighted residual factors for all reflections included in the refinement: 0.115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes