Information card for entry 2008715

Structure parameters

• Common name: 8-Methyltricyclo[9.3.0.0^3,7^]tetradec-3-ene-5,10-dione
• Formula: C15 H20 O2
• Calculated formula: C15 H20 O2
• SMILES: O=C1C[C@H]([C@@H]2C(=CC(=O)C2)C[C@@H]2CCC[C@@H]12)C.O=C1C[C@@H]([C@H]2C(=CC(=O)C2)C[C@H]2CCC[C@H]12)C
• Title of publication: 8-Methyltricyclo[9.3.0.0^3,7^]tetradec-3-ene-5,10-dione and 7,12-dihydroxy-9,12-dimethyltetracyclo[8.2.1.0^1,5^.0^7,11^]tridecan-13-one methanol solvate
• Authors of publication: Umehara, Misao; Hosomi, Hiroyuki; Ohba, Shigeru
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 7
• Pages of publication: IUC9900068
• a: 24.015 ± 0.004 Å
• b: 10.396 ± 0.004 Å
• c: 10.41 ± 0.004 Å
• α: 90°
• β: 91.48 ± 0.02°
• γ: 90°
• Cell volume: 2598.1 ± 1.5 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for all reflections included in the refinement: 0.1118
• Goodness-of-fit parameter for all reflections included in the refinement: 1.128
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No