Information card for entry 2229834

Structure parameters

• Chemical name: 5-Hydroxyindan-1-one
• Formula: C9 H8 O2
• Calculated formula: C9 H8 O2
• SMILES: Oc1ccc2c(c1)CCC2=O
• Title of publication: 5-Hydroxyindan-1-one
• Authors of publication: Chen, Kew-Yu; Fang, Tzu-Chien; Chang, Ming-Jen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 4
• Pages of publication: o992
• a: 13.9126 ± 0.0007 Å
• b: 6.7332 ± 0.0004 Å
• c: 7.5368 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 706.02 ± 0.06 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 3
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0627
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0778
• Weighted residual factors for all reflections included in the refinement: 0.081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes