Information card for entry 2204637

Structure parameters

• Chemical name: 10-Cyclopropyl-9-(3-methoxy-4-hydroxyphenyl)-3,3,6,6-tetramethyl- 1,2,3,4,5,6,7,8,9,10-decahydroacridine-1,8-dione
• Formula: C27 H33 N O4
• Calculated formula: C27 H33 N O4
• SMILES: O=C1C2=C(N(C3=C(C2c2cc(OC)c(O)cc2)C(=O)CC(C3)(C)C)C2CC2)CC(C1)(C)C
• Title of publication: 10-Cyclopropyl-9-(4-hydroxy-3-methoxyphenyl)-3,3,6,6-tetramethyl-1,2,3,4,5,6,7,8,9,10-decahydroacridine-1,8-dione
• Authors of publication: Shujiang Tu; Xiaojing Zhang; Jianin Xu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 12
• Pages of publication: o2328 - o2330
• a: 9.6559 ± 0.0011 Å
• b: 14.983 ± 0.0016 Å
• c: 16.5393 ± 0.0019 Å
• α: 90°
• β: 102.754 ± 0.002°
• γ: 90°
• Cell volume: 2333.8 ± 0.5 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.0791
• Residual factor for significantly intense reflections: 0.0607
• Weighted residual factors for significantly intense reflections: 0.129
• Weighted residual factors for all reflections included in the refinement: 0.1385
• Goodness-of-fit parameter for all reflections included in the refinement: 1.134
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes