Information card for entry 1559531

Structure parameters

• Common name: 2-(2,2-dichloro-1-phenylcyclopropyl)ethanoic acid
• Formula: C11 H10 Cl2 O2
• Calculated formula: C11 Cl2 O2
• SMILES: ClC1(Cl)C(C1)(CC(=O)O)c1ccccc1
• Title of publication: Long-Range NMR Coupling between a Cyclopropyl Proton and a Proton next to the Ring in a Number of 2,2-Disubstituted 1,1-Dihalocyclopropanes
• Authors of publication: Sydnes, Leiv K.; Pettersen, Anita; Drablos, Finn; Romming, Christian
• Journal of publication: Acta Chemica Scandinavica
• Year of publication: 1991
• Journal volume: 45
• Pages of publication: 902 - 913
• a: 8.129 ± 0.001 Å
• b: 14.956 ± 0.003 Å
• c: 18.431 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2240.8 ± 0.7 ų
• Ambient diffraction temperature: 138 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.047
• Goodness-of-fit parameter for all reflections included in the refinement: 1.52
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No