Information card for entry 2218139

Structure parameters

• Chemical name: 8-Methyl-5-methylene-2-oxotricyclo[5.3.1.1^3,9^]dodecan-<i>endo</i>-8-ol
• Formula: C14 H20 O2
• Calculated formula: C14 H20 O2
• SMILES: O[C@@]1([C@@H]2C[C@H]3C(=O)[C@H](C[C@@H]1CC(=C)C3)C2)C.O[C@]1([C@H]2C[C@@H]3C(=O)[C@@H](C[C@H]1CC(=C)C3)C2)C
• Title of publication: 8-Methyl-5-methylene-2-oxotricyclo[5.3.1.1^3,9^]dodecan-<i>endo</i>-8-ol
• Authors of publication: Chan, Isa Y. H.; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.; Yue, Weimin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 5
• Pages of publication: o841
• a: 7.554 ± 0.003 Å
• b: 13.196 ± 0.003 Å
• c: 12.597 ± 0.005 Å
• α: 90°
• β: 108.16 ± 0.02°
• γ: 90°
• Cell volume: 1193.2 ± 0.7 ų
• Cell temperature: 294 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 significantly intense reflections: 0.049
• Weighted residual factors for all reflections included in the refinement: 0.052
• Goodness-of-fit parameter for all reflections included in the refinement: 1.27
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes