Information card for entry 2008019

Structure parameters

• Chemical name: cis-8-Methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxylic acid
• Formula: C10 H10 O2
• Calculated formula: C10 H10 O2
• SMILES: OC(=O)[C@@H]1c2c(cccc2)[C@@H]1C.OC(=O)[C@H]1c2c(cccc2)[C@H]1C
• Title of publication: <i>cis</i>-8-Methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxylic Acid at 293K
• Authors of publication: Boese, Roland; Roth, Wolfgang R.; Bläser, Dieter; Latz, Rüdiger; Bäumen, Anja
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 12
• Pages of publication: IUC9800069
• a: 8.8787 ± 0.0016 Å
• b: 7.9846 ± 0.0016 Å
• c: 12.395 ± 0.003 Å
• α: 90°
• β: 100.243 ± 0.015°
• γ: 90°
• Cell volume: 864.7 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.114
• Residual factor for significantly intense reflections: 0.0736
• Weighted residual factors for all reflections included in the refinement: 0.2064
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No