Information card for entry 2006484

Structure parameters

• Common name: (+)-trans-2-phenylcyclopropanecarboxylic acid
• Chemical name: (+)-trans-(1S,2S)-2-phenylcyclopropanecarboxylic acid
• Formula: C10 H10 O2
• Calculated formula: C10 H10 O2
• SMILES: OC(=O)[C@H]1C[C@@H]1c1ccccc1
• Title of publication: Hydrogen Bonding and Ring Asymmetry in a Substituted Cyclopropane: (+)-<i>trans</i>-(1<i>S</i>,2<i>S</i>)-2-Phenylcyclopropanecarboxylic Acid at 208K
• Authors of publication: Gerkin, Roger E.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 9
• Pages of publication: 1280 - 1282
• a: 12.038 ± 0.002 Å
• b: 5.506 ± 0.001 Å
• c: 13.087 ± 0.001 Å
• α: 90°
• β: 94.576 ± 0.009°
• γ: 90°
• Cell volume: 864.7 ± 0.2 ų
• Cell temperature: 208 K
• Ambient diffraction temperature: 208 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for all reflections included in the refinement: 0.068
• Goodness-of-fit parameter for all reflections included in the refinement: 1.6
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No