Information card for entry 2236755

Structure parameters

• Chemical name: 3-(2-Chloro-3-hydroxy-4-methoxyphenyl)-1-(4,5-dimethoxy-2- methylphenyl)prop-2-en-1-one
• Formula: C19 H19 Cl O5
• Calculated formula: C19 H19 Cl O5
• SMILES: COc1cc(c(cc1OC)C(=O)/C=C/c1c(Cl)c(O)c(OC)cc1)C
• Title of publication: 3-(2-Chloro-3-hydroxy-4-methoxyphenyl)-1-(4,5-dimethoxy-2-methylphenyl)prop-2-en-1-one
• Authors of publication: Patel, U. H.; Gandhi, S. A.; Barot, V. M.; Patel, M. C.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 10
• Pages of publication: o2926 - o2927
• a: 14.2134 ± 0.0004 Å
• b: 10.2802 ± 0.0002 Å
• c: 24.2786 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3547.51 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0501
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for all reflections included in the refinement: 0.0981
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes