Information card for entry 2206155

Structure parameters

• Chemical name: 9-(2,6-Dihydroxyphenyl)-3,3,6,6-tetramethyl-N-(4-methylphenyl)- 1,8-dioxo-1,2,3,4,5,6,7,8,9,10-decahydroacridine
• Formula: C30 H33 N O4
• Calculated formula: C30 H33 N O4
• SMILES: N1(C2=C(C(=O)CC(C2)(C)C)C(C2=C1CC(CC2=O)(C)C)c1c(O)cccc1O)c1ccc(cc1)C
• Title of publication: 9-(2,6-Dihydroxyphenyl)-3,3,6,6-tetramethyl-<i>N</i>-(4-methylphenyl)-1,8-dioxo-1,2,3,4,5,6,7,8,9,10-decahydroacridine
• Authors of publication: Hong Jang; Tuanjie Li; Shujiang Tu; Xiang Zou
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 7
• Pages of publication: o2296 - o2298
• a: 11.995 ± 0.004 Å
• b: 11.002 ± 0.004 Å
• c: 19.965 ± 0.007 Å
• α: 90°
• β: 101.419 ± 0.006°
• γ: 90°
• Cell volume: 2582.6 ± 1.6 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: 0.2283
• Residual factor for significantly intense reflections: 0.0733
• Weighted residual factors for significantly intense reflections: 0.1689
• Weighted residual factors for all reflections included in the refinement: 0.2191
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes