Information card for entry 2215164

Structure parameters

• Chemical name: 9-(1,3-Benzodioxol-5-yl)-3,3,6,6-tetramethyl-10-p-tolyl-3,4,6,7- tetrahydroacridine-1,8(2H,5H,9H,10H)-dione
• Formula: C31 H33 N O4
• Calculated formula: C31 H33 N O4
• SMILES: N1(C2=C(C(=O)CC(C2)(C)C)C(C2=C1CC(CC2=O)(C)C)c1cc2OCOc2cc1)c1ccc(cc1)C
• Title of publication: 9-(1,3-Benzodioxol-5-yl)-3,3,6,6-tetramethyl-10-<i>p</i>-tolyl-3,4,6,7-tetrahydroacridine-1,8(2<i>H</i>,5<i>H</i>,9<i>H</i>,10<i>H</i>)-dione
• Authors of publication: Zi-Qiang Tang; Xu-Dong Cao; Bo Jiang; Chun-Mei Li; Dian-Xiang Zhou
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 9
• Pages of publication: o3811 - o3811
• a: 12.344 ± 0.003 Å
• b: 11.074 ± 0.002 Å
• c: 19.772 ± 0.003 Å
• α: 90°
• β: 102.286 ± 0.003°
• γ: 90°
• Cell volume: 2640.9 ± 0.9 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1498
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.1085
• Weighted residual factors for all reflections included in the refinement: 0.1629
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes