Information card for entry 2002021

Structure parameters

• Formula: C14 H18 O2
• Calculated formula: C14 H18 O2
• SMILES: O=C1[C@H]2[C@H](CC3=CC(=O)C[C@@H]3CC1)CCC2.O=C1[C@@H]2[C@@H](CC3=CC(=O)C[C@H]3CC1)CCC2
• 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: 9.894 ± 0.001 Å
• b: 10.971 ± 0.002 Å
• c: 5.658 ± 0.001 Å
• α: 102.9 ± 0.01°
• β: 91.17 ± 0.01°
• γ: 81.14 ± 0.01°
• Cell volume: 591.45 ± 0.16 ų
• Cell temperature: 298 ± 2 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: 0.044
• Weighted residual factors for significantly intense reflections: 0.047
• Goodness-of-fit parameter for significantly intense reflections: 1.79
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No