Information card for entry 2002022

Structure parameters

• Formula: C14 H18 O2
• Calculated formula: C14 H18 O2
• SMILES: O=C1[C@@]23[C@]4(CC1)CC(=O)C[C@@H]4C[C@@H]2CCC3.O=C1[C@]23[C@@]4(CC1)CC(=O)C[C@H]4C[C@H]2CCC3
• Title of publication: Tricyclo[9.3.0.0^3,7^]tetradec-3-ene-5,10-dione (I), tetracyclo[9.3.0.0^1,5^.0^5,9^]tetradecane-2,7-dione (II) and <i>cis</i>-<i>cisoid</i>-<i>cis</i>-2,9-epoxy-9-methyltricyclo[9.3.0.0^4,8^]tetradecan-2-ol (III)
• Authors of publication: Kawata, T.; Okuda, M.; Ohba, S.; Umehara, M.; Honnami, H.; Hishida, S.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 2
• Pages of publication: 410 - 413
• a: 13.406 ± 0.002 Å
• b: 13.346 ± 0.002 Å
• c: 6.86 ± 0.002 Å
• α: 90°
• β: 104.61 ± 0.02°
• γ: 90°
• Cell volume: 1187.7 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Number of distinct elements: 3
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.046
• Goodness-of-fit parameter for significantly intense reflections: 1.54
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No