Information card for entry 2207474

Structure parameters

• Chemical name: 10-Amino-9-(4-chlorophenyl)-3,3,6,6-tetramethyl-3,4,5,6,9,10- hexahydroacridine-1,8(2H,7H)-dione
• Formula: C23 H27 Cl N2 O2
• Calculated formula: C23 H27 Cl N2 O2
• SMILES: Clc1ccc(C2C3=C(N(N)C4=C2C(=O)CC(C4)(C)C)CC(CC3=O)(C)C)cc1
• Title of publication: 10-Amino-9-(4-chlorophenyl)-3,3,6,6-tetramethyl-3,4,5,6,9,10-hexahydroacridine-1,8(2<i>H</i>,7<i>H</i>)-dione
• Authors of publication: Shujiang Tu; Jinpeng Zhang; Xiaotong Zhu; Jianing Xu; Qian Wang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 12
• Pages of publication: o4082 - o4084
• a: 8.8057 ± 0.0018 Å
• b: 11.211 ± 0.002 Å
• c: 12.097 ± 0.003 Å
• α: 70.148 ± 0.003°
• β: 84.255 ± 0.004°
• γ: 74.874 ± 0.004°
• Cell volume: 1084.3 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1926
• Residual factor for significantly intense reflections: 0.0779
• Weighted residual factors for significantly intense reflections: 0.1346
• Weighted residual factors for all reflections included in the refinement: 0.1701
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes