Information card for entry 2215721

Structure parameters

• Chemical name: (2E)-3-(3,5-Dichloro-4-methoxy-2,6-dimethylphenyl)-1-(2,4-dichlorophenyl)prop- 2-en-1-one
• Formula: C18 H14 Cl4 O2
• Calculated formula: C18 H14 Cl4 O2
• SMILES: Clc1c(ccc(Cl)c1)C(=O)/C=C/c1c(C)c(Cl)c(OC)c(Cl)c1C
• Title of publication: (2<i>E</i>)-3-(3,5-Dichloro-4-methoxy-2,6-dimethylphenyl)-1-(2,4-dichlorophenyl)prop-2-en-1-one
• Authors of publication: Jasinski, Jerry P.; Butcher, Ray J.; Mayekar, Anil N.; Narayana, B.; Yathirajan, H. S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 11
• Pages of publication: o4229 - o4230
• a: 7.8036 ± 0.0004 Å
• b: 4.3526 ± 0.0002 Å
• c: 26.6839 ± 0.0011 Å
• α: 90°
• β: 97.02 ± 0.004°
• γ: 90°
• Cell volume: 899.55 ± 0.07 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 4
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.1273
• Residual factor for significantly intense reflections: 0.081
• Weighted residual factors for significantly intense reflections: 0.2024
• Weighted residual factors for all reflections included in the refinement: 0.2386
• 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: Yes