Information card for entry 2237428

Structure parameters

• Chemical name: 2-(2-Hydroxy-2-phenylethyl)-1-methylcyclopropan-1-ol
• Formula: C12 H16 O2
• Calculated formula: C12 H16 O2
• SMILES: O[C@@H](c1ccccc1)C[C@@H]1[C@@](O)(C1)C.O[C@H](c1ccccc1)C[C@H]1[C@](O)(C1)C
• Title of publication: 2-(2-Hydroxy-2-phenylethyl)-1-methylcyclopropan-1-ol
• Authors of publication: Mao, Hui; Tu, Ya-Wei; Li, Shi-Kun; Wang, Xiao-Juan; Wang, Peng-Peng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 2
• Pages of publication: o189
• a: 9.17 ± 0.0008 Å
• b: 10.3863 ± 0.001 Å
• c: 11.9412 ± 0.0011 Å
• α: 98.133 ± 0.007°
• β: 90.854 ± 0.006°
• γ: 91.841 ± 0.007°
• Cell volume: 1125.07 ± 0.18 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1497
• Residual factor for significantly intense reflections: 0.0695
• Weighted residual factors for significantly intense reflections: 0.2026
• Weighted residual factors for all reflections included in the refinement: 0.2487
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes