Information card for entry 2219096

Structure parameters

• Chemical name: (E)-3-(4-Chlorophenyl)-1-(2-furyl)prop-2-en-1-one
• Formula: C13 H9 Cl O2
• Calculated formula: C13 H9 Cl O2
• SMILES: Clc1ccc(/C=C/C(=O)c2occc2)cc1
• Title of publication: (<i>E</i>)-3-(4-Chlorophenyl)-1-(2-furyl)prop-2-en-1-one
• Authors of publication: Fun, Hoong-Kun; Patil, P. S.; Jebas, Samuel Robinson; Dharmaprakash, S. M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 8
• Pages of publication: o1530
• a: 21.3399 ± 0.0007 Å
• b: 3.7912 ± 0.0001 Å
• c: 12.9444 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1047.25 ± 0.05 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0604
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.1176
• Weighted residual factors for all reflections included in the refinement: 0.1257
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes