Information card for entry 2009452

Structure parameters

• Formula: C14 H20 O
• Calculated formula: C14 H20 O
• SMILES: CC1(O)[C@@H]2C=C[C@H]1[C@@H]1[C@H]2CCC=CCC1
• Title of publication: The structures of <i>endo</i>-13-<i>syn</i>-methyltricyclo[8.2.1.0^2,9^]trideca-5,11-dien-13-<i>anti</i>-ol, <i>endo</i>-13-<i>syn</i>-methyltricyclo[8.2.1.0^2,9^]trideca-5,11-dien-13-<i>anti</i>-yl acetate and its corresponding <i>endo</i>-<i>endo</i>-<i>anti</i> Diels–Alder adducts with 1,2,3,4-tetrachloro-5,5-dimethoxy-1,3-cyclopentadiene and hexachlorocyclopentadiene
• Authors of publication: Garcia, J.G.; Morales, G.; Fronczek, F.R.; McLaughlin, M.L.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 2
• Pages of publication: 317 - 324
• a: 11.575 ± 0.003 Å
• b: 14.148 ± 0.0013 Å
• c: 17.132 ± 0.003 Å
• α: 77.97 ± 0.01°
• β: 70.28 ± 0.02°
• γ: 70.56 ± 0.01°
• Cell volume: 2475.8 ± 0.9 ų
• Cell temperature: 297 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 significantly intense reflections: 0.063
• Weighted residual factors for significantly intense reflections: 0.066
• Goodness-of-fit parameter for significantly intense reflections: 2.839
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No