Information card for entry 2010544

Structure parameters

• Formula: C10 H20 O2
• Calculated formula: C10 H20 O2
• SMILES: O[C@H]1[C@H]([C@H](CO)C)CC[C@@H](C)C1
• Title of publication: ({-})-(1<i>R</i>,2<i>S</i>,2'<i>R</i>,5<i>R</i>)-2-(1-Hydroxyprop-2-yl)-5-methylcyclohexanol
• Authors of publication: Körner, Ferdinand; Schürmann, Markus; Preut, Hans; Kreiser, Wolfgang
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 1
• Pages of publication: 74 - 75
• a: 8.571 ± 0.0007 Å
• b: 6.4665 ± 0.0003 Å
• c: 9.8502 ± 0.0008 Å
• α: 90°
• β: 106.783 ± 0.003°
• γ: 90°
• Cell volume: 522.69 ± 0.07 ų
• Cell temperature: 291 ± 1 K
• Ambient diffraction temperature: 291 ± 1 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 all reflections: 0.085
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for all reflections included in the refinement: 0.187
• Goodness-of-fit parameter for all reflections included in the refinement: 0.721
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes