Information card for entry 2204292

Structure parameters

• Chemical name: 9-(4-Hydroxy-3-methyoxyphenyl)-3,3,6,6,10-pentamethyl-1,2,3,4,5,6,7,8,9,10- decahydroacridine-1,8-dione
• Formula: C25 H31 N O4
• Calculated formula: C25 H31 N O4
• SMILES: O=C1CC(CC2=C1C(C1=C(N2C)CC(CC1=O)(C)C)c1ccc(O)c(OC)c1)(C)C
• Title of publication: 9-(4-Hydroxy-3-methyoxyphenyl)-3,3,6,6,10-pentamethyl-1,2,3,4,5,6,7,8,9,10-decahydroacridine-1,8-dione
• Authors of publication: Tu, Shu-Jiang; Zhang, Xiao-Jing; Zhu, Song-Lei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 10
• Pages of publication: o1870 - o1872
• a: 10.64 ± 0.002 Å
• b: 14.884 ± 0.002 Å
• c: 13.604 ± 0.002 Å
• α: 90°
• β: 91.15 ± 0.01°
• γ: 90°
• Cell volume: 2154 ± 0.6 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0747
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.0995
• Weighted residual factors for all reflections included in the refinement: 0.1081
• Goodness-of-fit parameter for all reflections included in the refinement: 0.911
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes