Information card for entry 2005118

Structure parameters

• Chemical name: (±)-endo-5-hydroxy-1-methylbicyclo[4.3.1.]decan-7-one
• Formula: C11 H18 O2
• Calculated formula: C11 H18 O2
• SMILES: O=C1CC[C@]2(CCC[C@@H](O)[C@@H]1C2)C.O=C1CC[C@@]2(CCC[C@H](O)[C@H]1C2)C
• Title of publication: A <i>cis</i>-Fused Decalone and a Bicyclo[4.3.1]decanone Ring System
• Authors of publication: Abboud, K. A.; Xie, Y.; Enholm, E. J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 7
• Pages of publication: 1829 - 1831
• a: 12.01 Å
• b: 7.553 Å
• c: 12.134 Å
• α: 90°
• β: 110.34°
• γ: 90°
• Cell volume: 1032.06 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0771
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for all reflections: 0.0564
• Weighted residual factors for significantly intense reflections: 0.0526
• Goodness-of-fit parameter for significantly intense reflections: 1.55
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No