Information card for entry 2229414

Structure parameters

• Chemical name: 10-(2-Hydroxyethyl)-9-(2-hydroxyphenyl)-3,3,6,6-tetramethyl- 1,2,3,4,5,6,7,8,9,10-decahydroacridine-1,8-dione
• Formula: C25 H31 N O4
• Calculated formula: C25 H31 N O4
• SMILES: Oc1ccccc1C1C2=C(N(CCO)C3=C1C(=O)CC(C3)(C)C)CC(CC2=O)(C)C
• Title of publication: 10-(2-Hydroxyethyl)-9-(2-hydroxyphenyl)-3,3,6,6-tetramethyl-1,2,3,4,5,6,7,8,9,10-decahydroacridine-1,8-dione
• Authors of publication: Abdelhamid, Antar A.; Mohamed, Shaaban K.; Khalilov, Ali N.; Gurbanov, Atash V.; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 3
• Pages of publication: o744
• a: 9.7037 ± 0.0002 Å
• b: 16.5123 ± 0.0003 Å
• c: 13.8847 ± 0.0003 Å
• α: 90°
• β: 102.132 ± 0.003°
• γ: 90°
• Cell volume: 2175.06 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0673
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1086
• Weighted residual factors for all reflections included in the refinement: 0.1234
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes