Information card for entry 2236205

Structure parameters

• Chemical name: 10-Benzyl-9-(4-ethoxyphenyl)-3,3,6,6-tetramethyl-3,4,6,7,9,10- hexahydroacridine-1,8(2<i>H</i>,5<i>H</i>)-dione
• Formula: C32 H37 N O3
• Calculated formula: C32 H37 N O3
• SMILES: C1(CC2=C(C(=O)C1)C(C1=C(CC(CC1=O)(C)C)N2Cc1ccccc1)c1ccc(cc1)OCC)(C)C
• Title of publication: 10-Benzyl-9-(4-ethoxyphenyl)-3,3,6,6-tetramethyl-3,4,6,7,9,10-hexahydroacridine-1,8(2<i>H</i>,5<i>H</i>)-dione
• Authors of publication: Sughanya, V.; Sureshbabu, N.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 9
• Pages of publication: o2755
• a: 16.8172 ± 0.0007 Å
• b: 15.7033 ± 0.0007 Å
• c: 19.908 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5257.4 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0732
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.1085
• Weighted residual factors for all reflections included in the refinement: 0.1275
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes