Information card for entry 7203394

Structure parameters

• Chemical name: 1,8-dioxo-3, 3-dimethyl-9-(4-Chloro-phenyl)- 1,2,3,4,5,6,7,8,9,10-decahydroacridine
• Formula: C21 H22 Cl N O2
• Calculated formula: C21 H22 Cl N O2
• SMILES: Clc1ccc(C2C3=C(NC4=C2C(=O)CCC4)CC(CC3=O)(C)C)cc1
• Title of publication: Environmentally benign one-pot multi-component approaches to the synthesis of novel unsymmetrical 4-arylacridinediones
• Authors of publication: Wang, Guan-Wu; Miao, Chun-Bao
• Journal of publication: Green Chemistry
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 12
• Pages of publication: 1080
• a: 7.1209 ± 0.0008 Å
• b: 16.3999 ± 0.0019 Å
• c: 15.0997 ± 0.0016 Å
• α: 90°
• β: 92.716 ± 0.004°
• γ: 90°
• Cell volume: 1761.4 ± 0.3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• 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: 0.0454
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.0963
• Weighted residual factors for all reflections included in the refinement: 0.0986
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No