Information card for entry 2224040

Structure parameters

• Chemical name: 1-(4-Chlorophenyl)-3-(5-methyl-2-furyl)prop-2-en-1-one
• Formula: C14 H11 Cl O2
• Calculated formula: C14 H11 Cl O2
• SMILES: Clc1ccc(C(=O)/C=C/c2oc(cc2)C)cc1
• Title of publication: 1-(4-Chlorophenyl)-3-(5-methyl-2-furyl)prop-2-en-1-one
• Authors of publication: Guo, Huan-Mei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: o2921
• a: 8.35 ± 0.003 Å
• b: 15.732 ± 0.005 Å
• c: 9.66 ± 0.003 Å
• α: 90°
• β: 106.882 ± 0.005°
• γ: 90°
• Cell volume: 1214.3 ± 0.7 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.075
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.163
• Weighted residual factors for all reflections included in the refinement: 0.18
• 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