Information card for entry 2236940

Structure parameters

• Chemical name: 3,3,6,6-Tetramethyl-9-(1-methyl-1<i>H</i>-indol-2-yl)-1,2,3,4,5,6,7,8,9,10- decahydroacridine-1,8-dione
• Formula: C26 H30 N2 O2
• Calculated formula: C26 H30 N2 O2
• SMILES: O=C1CC(CC2=C1C(C1=C(N2)CC(CC1=O)(C)C)c1n(c2c(c1)cccc2)C)(C)C
• Title of publication: 3,3,6,6-Tetramethyl-9-(1-methyl-1<i>H</i>-indol-2-yl)-1,2,3,4,5,6,7,8,9,10-decahydroacridine-1,8-dione
• Authors of publication: Öztürk Yildirim, Sema; Butcher, Ray J.; El-Khouly, Ahmed; Safak, Cihat; Şimsek, Rahime
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 12
• Pages of publication: o3365 - o3366
• a: 14.09072 ± 0.00013 Å
• b: 15.048 ± 0.00015 Å
• c: 10.39178 ± 0.00012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2203.44 ± 0.04 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0363
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0959
• Weighted residual factors for all reflections included in the refinement: 0.0963
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes