Information card for entry 2204245

Structure parameters

• Chemical name: (E)-2-(4-Chlorobenzylidene)cyclooctanone
• Formula: C15 H17 Cl O
• Calculated formula: C15 H17 Cl O
• SMILES: Clc1ccc(/C=C2C(=O)CCCCCC/2)cc1
• Title of publication: (<i>E</i>)-2-(4-Chlorobenzylidene)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: 9
• Pages of publication: o1504 - o1506
• a: 7.474 ± 0.001 Å
• b: 10.545 ± 0.001 Å
• c: 8.568 ± 0.001 Å
• α: 90°
• β: 100.223 ± 0.009°
• γ: 90°
• Cell volume: 664.55 ± 0.14 ų
• Cell temperature: 288 ± 2 K
• Ambient diffraction temperature: 288 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0508
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0755
• Weighted residual factors for all reflections included in the refinement: 0.079
• Goodness-of-fit parameter for all reflections included in the refinement: 0.962
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes