Information card for entry 2201310

Structure parameters

• Chemical name: 10-[2-(4-Hydroxyphenyl)ethyl]-3,3,6,6,9-pentamethyl-3,4,6,7,9,10-hexahydro- acridine-1,8(2H,5H)-dione
• Formula: C26 H33 N O3
• Calculated formula: C26 H33 N O3
• SMILES: N1(C2=C(C(C)C3=C1CC(CC3=O)(C)C)C(=O)CC(C2)(C)C)CCc1ccc(O)cc1
• Title of publication: 10-[2-(4-Hydroxyphenyl)ethyl]-3,3,6,6,9-pentamethyl-3,4,6,7,9,10-hexahydroacridine-1,8(2<i>H</i>,5<i>H</i>)-dione
• Authors of publication: P. R. Seshadri; D. Velmurugan; T. Josephrajan; V. T. Ramakrishnan; M. J. Kim
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 12
• Pages of publication: o1330 - o1332
• a: 11.35 ± 0.002 Å
• b: 15.5152 ± 0.0015 Å
• c: 13.084 ± 0.002 Å
• α: 90°
• β: 104.677 ± 0.014°
• γ: 90°
• Cell volume: 2228.9 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.116
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for significantly intense reflections: 0.152
• Weighted residual factors for all reflections included in the refinement: 0.1802
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes