Information card for entry 2227458

Structure parameters

• Chemical name: <i>rac</i>-2-Hydroxy-2-(2-oxocyclopentyl)-1<i>H</i>-indene-1,3(2<i>H</i>)-dione
• Formula: C14 H12 O4
• Calculated formula: C14 H12 O4
• SMILES: C1(=O)CCCC1C1(C(=O)c2ccccc2C1=O)O
• Title of publication: <i>rac</i>-2-Hydroxy-2-(2-oxocyclopentyl)-1<i>H</i>-indene-1,3(2<i>H</i>)-dione
• Authors of publication: Sundar, J. Kalyana; Maharani, S.; Kumar, R. Ranjith; Natarajan, S.; Suresh, J.; Lakshman, P. L. Nilantha
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 11
• Pages of publication: o2967
• a: 8.044 ± 0.003 Å
• b: 8.404 ± 0.004 Å
• c: 10.239 ± 0.003 Å
• α: 66.95 ± 0.03°
• β: 74.36 ± 0.02°
• γ: 68.5 ± 0.03°
• Cell volume: 586.1 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0405
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.1015
• Weighted residual factors for all reflections included in the refinement: 0.104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes