Information card for entry 2200442

Structure parameters

• Formula: C12 H11 F O3
• Calculated formula: C12 H11 F O3
• SMILES: Fc1c(O)cc2C(=C(Cc2c1)C)CC(=O)O
• Title of publication: 2-(6-Fluoro-5-hydroxy-2-methyl-1<i>H</i>-3-indenyl)acetic acid
• Authors of publication: Razzino, Pasquale; Ward, A. David; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 7
• Pages of publication: o643 - o644
• a: 11.662 ± 0.003 Å
• b: 7.579 ± 0.002 Å
• c: 12.038 ± 0.006 Å
• α: 90°
• β: 106.89 ± 0.03°
• γ: 90°
• Cell volume: 1018.1 ± 0.7 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.079
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for all reflections included in the refinement: 0.141
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes