Information card for entry 2237356

Structure parameters

• Chemical name: 9-(3,4-Dimethoxyphenyl)-3,3,6,6-tetramethyl-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: COc1ccc(cc1OC)C1C2=C(NC3=C1C(=O)CC(C3)(C)C)CC(CC2=O)(C)C
• Title of publication: 9-(3,4-Dimethoxyphenyl)-3,3,6,6-tetramethyl-1,2,3,4,5,6,7,8,9,10-decahydroacridine-1,8-dione
• Authors of publication: Kant, Rajni; Gupta, Vivek K.; Kapoor, Kamini; Patil, D. R.; Chandam, D. R.; Deshmukh, Madhukar B.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 2
• Pages of publication: o297 - o298
• a: 14.1607 ± 0.0006 Å
• b: 15.3126 ± 0.001 Å
• c: 21.1196 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4579.5 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0962
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for significantly intense reflections: 0.1087
• Weighted residual factors for all reflections included in the refinement: 0.1272
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes