Information card for entry 2001340

Structure parameters

• Formula: C11 H10 O2
• Calculated formula: C11 H10 O2
• SMILES: C/C(=C1\Cc2c(C1=O)cccc2)O
• Title of publication: Structure of a 2-acylindan-1-one
• Authors of publication: Garcia, J. G.; Enas, J. D.; Fronczek, F. R.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 10
• Pages of publication: 1823 - 1824
• a: 7.298 ± 0.0003 Å
• b: 16.0475 ± 0.0008 Å
• c: 7.9701 ± 0.0003 Å
• α: 90°
• β: 108.289 ± 0.004°
• γ: 90°
• Cell volume: 886.26 ± 0.07 ų
• Cell temperature: 298 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.047
• Goodness-of-fit parameter for significantly intense reflections: 2.261
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No