Information card for entry 2210677

Structure parameters

• Common name: 1-(4-Bromophenyl)-3-(2,4,5-trimethoxyphenyl) prop-2-en-1-one
• Chemical name: 1-(4-Bromophenyl)-3-(2,4,5-trimethoxyphenyl)prop-2-en-1-one
• Formula: C18 H17 Br O4
• Calculated formula: C18 H17 Br O4
• SMILES: Brc1ccc(cc1)C(=O)/C=C/c1c(OC)cc(OC)c(OC)c1
• Title of publication: 1-(4-Bromophenyl)-3-(2,4,5-trimethoxyphenyl)prop-2-en-1-one
• Authors of publication: P. S. Patil; Mohd Mustaqim Rosli; Hoong-Kun Fun; Ibrahim Abdul Razak; S. M. Dharmaprakash
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 10
• Pages of publication: o4644 - o4645
• a: 7.3031 ± 0.0003 Å
• b: 10.3422 ± 0.0004 Å
• c: 21.3355 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1611.47 ± 0.11 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0534
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0654
• Weighted residual factors for all reflections included in the refinement: 0.074
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes