Information card for entry 2203725

Structure parameters

• Formula: C15 H17 F O
• Calculated formula: C15 H17 F O
• SMILES: Fc1c(\C=C2C(=O)CCCCCC\2)cccc1
• Title of publication: (<i>E</i>)-2-(2-Fluorobenzylidene)cyclooctanone
• Authors of publication: Shen-Lin Huang; Yu-Lin Zhu; Yuan-Jiang Pan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 6
• Pages of publication: o1000 - o1002
• a: 12.291 ± 0.001 Å
• b: 8.294 ± 0.001 Å
• c: 12.273 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1251.1 ± 0.2 ų
• Cell temperature: 287 ± 2 K
• Ambient diffraction temperature: 287 ± 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: 0.042
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0706
• Weighted residual factors for all reflections included in the refinement: 0.0731
• Goodness-of-fit parameter for all reflections included in the refinement: 0.936
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes