Information card for entry 2004295

Structure parameters

• Formula: C13 H18 O
• Calculated formula: C13 H18 O
• SMILES: [C@@H]1(CC=CCC[C@H]2[C@H]3C=C[C@@H]([C@@H]12)C3)O.[C@H]1(CC=CCC[C@@H]2[C@@H]3C=C[C@H]([C@H]12)C3)O
• Title of publication: Tricyclo[8.2.1.0^2,9^]trideca-5,11-dien-3-ol
• Authors of publication: Bohnen, F. M.; Maier, W. F.; Krüger, C.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 12
• Pages of publication: 2639 - 2641
• a: 15.515 ± 0.001 Å
• b: 15.515 ± 0.001 Å
• c: 8.851 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2130.6 ± 0.3 ų
• Cell temperature: 298 K
• Number of distinct elements: 3
• Space group number: 82
• Hermann-Mauguin space group symbol: I -4
• Hall space group symbol: I -4
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.102
• Goodness-of-fit parameter for significantly intense reflections: 0.82
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No