Information card for entry 2009372

Structure parameters

• Formula: C15 H11 Cl O
• Calculated formula: C15 H11 Cl O
• SMILES: Clc1ccc(cc1)/C=C/C(=O)c1ccccc1
• Title of publication: Structure of 4-chlorochalcone
• Authors of publication: Li, Z.; Su, G.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 1
• Pages of publication: 126 - 127
• a: 8.211 ± 0.002 Å
• b: 5.869 ± 0.002 Å
• c: 25.291 ± 0.005 Å
• α: 90°
• β: 99.18°
• γ: 90°
• Cell volume: 1203.2 ± 0.6 ų
• Cell temperature: 294 K
• Number of distinct elements: 4
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.054
• Goodness-of-fit parameter for significantly intense reflections: 1.36
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No