Information card for entry 2237197

Structure parameters

• Chemical name: 2,2,7,7-Tetramethyl-1,2,3,4,5,6,7,8-octahydroacridine-1,8-dione
• Formula: C17 H21 N O2
• Calculated formula: C17 H21 N O2
• SMILES: c12CCC(C(=O)c1cc1c(n2)CCC(C1=O)(C)C)(C)C
• Title of publication: 2,2,7,7-Tetramethyl-1,2,3,4,5,6,7,8-octahydroacridine-1,8-dione
• Authors of publication: Öztürk Yildirim, Sema; Butcher, Ray J.; Şimsek, Rahime; El-Khouly, Ahmed; Şafak, Cihat
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 1
• Pages of publication: o88 - o89
• a: 9.99077 ± 0.00019 Å
• b: 9.99077 ± 0.00019 Å
• c: 14.5063 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1447.95 ± 0.06 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 95
• Hermann-Mauguin space group symbol: P 43 2 2
• Hall space group symbol: P 4cw 2c
• Residual factor for all reflections: 0.0472
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.116
• Weighted residual factors for all reflections included in the refinement: 0.1219
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes