Information card for entry 2221941

Structure parameters

• Chemical name: 4,4-Dimethyl-1-(3-nitrophenyl)pent-1-en-3-one
• Formula: C13 H15 N O3
• Calculated formula: C13 H15 N O3
• Title of publication: 4,4-Dimethyl-1-(3-nitrophenyl)pent-1-en-3-one
• Authors of publication: Chen, Ping; Xia, Lin; Hu, Ai-Xi; Ye, Jiao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 6
• Pages of publication: o1346
• a: 11.3375 ± 0.0009 Å
• b: 7.2163 ± 0.0006 Å
• c: 14.9327 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1221.72 ± 0.17 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0604
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.1087
• Weighted residual factors for all reflections included in the refinement: 0.1225
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes