Information card for entry 2210782

Structure parameters

• Common name: 1-(4-Nitrophenyl)-3-(2,4,5-trimethoxyphenyl)prop-2-en-1-one
• Chemical name: 1-(4-Nitrophenyl)-3-(2,4,5-trimethoxyphenyl)prop-2-en-1-one
• Formula: C18 H17 N O6
• Calculated formula: C18 H17 N O6
• SMILES: O=C(c1ccc(N(=O)=O)cc1)/C=C/c1c(OC)cc(OC)c(OC)c1
• Title of publication: 1-(4-Nitrophenyl)-3-(2,4,5-trimethoxyphenyl)prop-2-en-1-one
• Authors of publication: Mohd Mustaqim Rosli; P. S. Patil; 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: o4228 - o4230
• a: 8.5874 ± 0.0002 Å
• b: 9.1624 ± 0.0002 Å
• c: 10.9048 ± 0.0002 Å
• α: 95.508 ± 0.001°
• β: 104.062 ± 0.001°
• γ: 97.357 ± 0.001°
• Cell volume: 818.2 ± 0.03 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0921
• Residual factor for significantly intense reflections: 0.0585
• Weighted residual factors for significantly intense reflections: 0.1629
• Weighted residual factors for all reflections included in the refinement: 0.2037
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes