Information card for entry 2016369

Structure parameters

• Chemical name: rac-<i>trans</i>-(1<i>R</i>,2<i>R</i>)-1-Benzyl-2-phenylcyclopropanecarboxylic acid
• Formula: C17 H16 O2
• Calculated formula: C17 H16 O2
• SMILES: OC(=O)[C@]1(C[C@@H]1c1ccccc1)Cc1ccccc1.OC(=O)[C@@]1(C[C@H]1c1ccccc1)Cc1ccccc1
• Title of publication: <i>trans</i>-(1<i>R</i>,2<i>R</i>)-1-Benzyl-2-phenylcyclopropanecarboxylic acid
• Authors of publication: Henryk Krawczyk; Katarzyna Wąsek; Jacek Kędzia; Jakub Wojciechowski; Wojciech M. Wolf
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: o24 - o26
• a: 5.9983 ± 0.0002 Å
• b: 9.5439 ± 0.0004 Å
• c: 12.7293 ± 0.0005 Å
• α: 111.33 ± 0.001°
• β: 92.188 ± 0.001°
• γ: 97.965 ± 0.001°
• Cell volume: 669.15 ± 0.04 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: 0.0444
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.1112
• Weighted residual factors for all reflections included in the refinement: 0.1124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes