Information card for entry 2219701

Structure parameters

• Chemical name: 1-(2,4-Dichlorophenyl)-4,4-dimethylpent-1-en-3-one
• Formula: C13 H14 Cl2 O
• Calculated formula: C13 H14 Cl2 O
• Title of publication: 1-(2,4-Dichlorophenyl)-4,4-dimethylpent-1-en-3-one
• Authors of publication: Xia, Lin; Hu, Ai-Xi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 10
• Pages of publication: o1983
• a: 11.2553 ± 0.0007 Å
• b: 7.0458 ± 0.0004 Å
• c: 15.4969 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1228.94 ± 0.13 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.039
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.0803
• Weighted residual factors for all reflections included in the refinement: 0.0847
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes