Information card for entry 2215676

Structure parameters

• Chemical name: 1-(4-Aminophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one‒1-(4- aminophenyl)-3-(3-bromo-4,5-trimethoxyphenyl)prop-2-en-1-one (0.972/0.028)
• Formula: C17.97 H18.91 Br0.03 N O3.97
• Calculated formula: C17.972 H18.916 Br0.028 N O3.972
• Title of publication: 1-(4-Aminophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one‒1-(4-aminophenyl)-3-(3-bromo-4,5-trimethoxyphenyl)prop-2-en-1-one (0.972/0.028)
• Authors of publication: Harrison, William T. A.; H. J. Ravindra; M. R. Suresh Kumar; S. M. Dharmaprakash
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 10
• Pages of publication: o3970 - o3970
• a: 4.2227 ± 0.0004 Å
• b: 12.2001 ± 0.0012 Å
• c: 15.4865 ± 0.0016 Å
• α: 90°
• β: 97.506 ± 0.002°
• γ: 90°
• Cell volume: 790.99 ± 0.14 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 5
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.042
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.094
• Weighted residual factors for all reflections included in the refinement: 0.098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes