Information card for entry 8103361

Structure parameters

• Formula: C18 H16 Cl2 O4
• Calculated formula: C18 H16 Cl2 O4
• SMILES: Clc1c(/C=C/C(=O)c2cc(OC)c(OC)c(OC)c2)ccc(Cl)c1
• Title of publication: Crystal structure of (E)-3-(2,4-dichlorophenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one, C18H16Cl2O4
• Authors of publication: Jian-Zhang Wu; Xin Jiang; Cheng-Guang Zhao; Xiao-Kun Li; Shu-Lin Yang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2012
• Journal volume: 227
• Journal issue: 2
• Pages of publication: 215
• a: 7.2641 ± 0.0009 Å
• b: 16.3533 ± 0.0019 Å
• c: 14.6158 ± 0.0017 Å
• α: 90°
• β: 102.514 ± 0.002°
• γ: 90°
• Cell volume: 1695 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0516
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.1188
• Weighted residual factors for all reflections included in the refinement: 0.1258
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No