Information card for entry 2208563

Structure parameters

• Chemical name: 1-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one‒(E)-3-(3-chloro- 4,5-dimethoxyphenyl)-1-(4-methoxyphenyl)-2-propen-1-one (0.92/0.08)
• Formula: C18.92 H19.77 Cl0.08 O4.92
• Calculated formula: C18.924 H19.772 Cl0.076 O4.924
• SMILES: COc1ccc(cc1)C(=O)/C=C/c1cc(OC)c(c(c1)OC)OC
• Title of publication: A cocrystal of 1-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one and (<i>E</i>)-3-(3-chloro-4,5-dimethoxyphenyl)-1-(4-methoxyphenyl)-2-propen-1-one (0.92/0.08)
• Authors of publication: Ng Shea-Lin; P. S. Patil; Ibrahim Abdul Razak; Hoong-Kun Fun; S. M. Dharmaprakash
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 4
• Pages of publication: o1228 - o1230
• a: 7.4777 ± 0.0002 Å
• b: 16.1092 ± 0.0004 Å
• c: 13.7416 ± 0.0003 Å
• α: 90°
• β: 104.043 ± 0.001°
• γ: 90°
• Cell volume: 1605.84 ± 0.07 ų
• Cell temperature: 120 ± 0.1 K
• Ambient diffraction temperature: 297 ± 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: 0.0541
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.1199
• Weighted residual factors for all reflections included in the refinement: 0.1279
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes