Information card for entry 2223254

Structure parameters

• Chemical name: 9,9-Dimethyl-12-(3-nitrophenyl)-7,8,9,10,11,12-hexahydrobenz[<i>a</i>]acridin- 11-one
• Formula: C25 H22 N2 O3
• Calculated formula: C25 H22 N2 O3
• SMILES: N1C2=C(C(=O)CC(C2)(C)C)C(c2c3ccccc3ccc12)c1cc(N(=O)=O)ccc1
• Title of publication: 9,9-Dimethyl-12-(3-nitrophenyl)-7,8,9,10,11,12-hexahydrobenz[<i>a</i>]acridin-11-one
• Authors of publication: Jia, Runhong; Peng, Juhua; Tu, Shujiang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 9
• Pages of publication: o2284
• a: 10.264 ± 0.007 Å
• b: 13.099 ± 0.009 Å
• c: 15.018 ± 0.01 Å
• α: 90°
• β: 94.403 ± 0.01°
• γ: 90°
• Cell volume: 2013 ± 2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.177
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.126
• Weighted residual factors for all reflections included in the refinement: 0.185
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes