Information card for entry 2220318

Structure parameters

• Chemical name: (<i>E</i>)-2-(4-Fluorobenzylidene)cyclooctanone
• Formula: C15 H17 F O
• Calculated formula: C15 H17 F O
• SMILES: c1c(ccc(c1)/C=C\1C(=O)CCCCCC1)F
• Title of publication: (<i>E</i>)-2-(4-Fluorobenzylidene)cyclooctanone
• Authors of publication: Zhu, Yu-Lin; Xie, Min; Zheng, Jie; Deng, Changquan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 12
• Pages of publication: o2417
• a: 12.031 ± 0.0002 Å
• b: 8.6056 ± 0.0001 Å
• c: 12.2438 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1267.65 ± 0.03 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0674
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0708
• Weighted residual factors for all reflections included in the refinement: 0.0815
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes