Information card for entry 2231115

Structure parameters

• Chemical name: (<i>E</i>)-2-(4-Chlorobenzylidene)indan-1-one
• Formula: C16 H11 Cl O
• Calculated formula: C16 H11 Cl O
• SMILES: Clc1ccc(/C=C/2Cc3ccccc3C2=O)cc1
• Title of publication: (<i>E</i>)-2-(4-Chlorobenzylidene)indan-1-one
• Authors of publication: Ali, Mohamed Ashraf; Choon, Tan Soo; Lan, Lim Yee; Rosli, Mohd Mustaqim; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 8
• Pages of publication: o2064
• a: 3.8649 ± 0.0002 Å
• b: 6.5233 ± 0.0003 Å
• c: 12.1703 ± 0.0006 Å
• α: 91.374 ± 0.004°
• β: 95.914 ± 0.004°
• γ: 103.483 ± 0.004°
• Cell volume: 296.43 ± 0.03 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0477
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.1215
• Weighted residual factors for all reflections included in the refinement: 0.1243
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes