Information card for entry 2236734

Structure parameters

• Chemical name: Pentacyclo[8.2.1.1^4,7^.0^2,9^.0^3,8^]tetradeca-5,11-diene
• Formula: C14 H16
• Calculated formula: C14 H16
• SMILES: C1=C[C@H]2C[C@@H]1[C@H]1[C@@H]2[C@H]2[C@@H]1[C@@H]1C=C[C@H]2C1
• Title of publication: Pentacyclo[8.2.1.1^4,7^.0^2,9^.0^3,8^]tetradeca-5,11-diene
• Authors of publication: Tsai, Hsing-Yang; Luo, Ming-Hui; Lin, Wei-Chi; Chang, Che-Wei; Chen, Kew-Yu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 10
• Pages of publication: o2945
• a: 10.7893 ± 0.0007 Å
• b: 10.873 ± 0.0006 Å
• c: 9.2407 ± 0.0006 Å
• α: 90°
• β: 109.022 ± 0.007°
• γ: 90°
• Cell volume: 1024.85 ± 0.12 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 2
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0742
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.1483
• Weighted residual factors for all reflections included in the refinement: 0.1574
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes