Information card for entry 2234648

Structure parameters

• Chemical name: (2<i>E</i>)-1-(2,4-Dichlorophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
• Formula: C18 H16 Cl2 O4
• Calculated formula: C18 H16 Cl2 O4
• SMILES: Clc1cc(Cl)ccc1C(=O)/C=C/c1cc(OC)c(OC)c(OC)c1
• Title of publication: (2<i>E</i>)-1-(2,4-Dichlorophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
• Authors of publication: Fun, Hoong-Kun; Chia, Tze Shyang; Sapnakumari, M.; Narayana, B.; Sarojini, B. K.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 5
• Pages of publication: o1465
• a: 9.4305 ± 0.0005 Å
• b: 13.9334 ± 0.0008 Å
• c: 25.6417 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3369.3 ± 0.3 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0345
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0831
• Weighted residual factors for all reflections included in the refinement: 0.0863
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes