Information card for entry 2201891

Structure parameters

• Chemical name: 10-[2-(4-acetylpiperzain-1-yl)ethyl]-9-(4-chlorophenyl)-3,3,6,6-tetramethyl- 3,4,6,7,9,10-hexahydro-2H,5H-acridine-1,8-dione
• Formula: C31 H40 Cl N3 O3
• Calculated formula: C31 H40 Cl N3 O3
• SMILES: Clc1ccc(C2C3C(=O)CC(CC=3N(C3=C2C(=O)CC(C3)(C)C)CCN2CCN(CC2)C(=O)C)(C)C)cc1
• Title of publication: 10-[2-(4-Acetylpiperzin-1-yl)ethyl]-9-(4-chlorophenyl)-3,3,6,6-tetramethyl-3,4,6,7,9,10-hexahydro-2<i>H</i>,5<i>H</i>-acridine-1,8-dione
• Authors of publication: P.r. Seshadri; M.yogavel; T. Joseph Rajan; D.velmurugan; S.shanmuga Sundara Raj; H.-K.fun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 5
• Pages of publication: o696 - o698
• a: 10.3624 ± 0.0006 Å
• b: 21.4915 ± 0.0012 Å
• c: 13.5314 ± 0.0008 Å
• α: 90°
• β: 101.492 ± 0.001°
• γ: 90°
• Cell volume: 2953.1 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.2386
• Residual factor for significantly intense reflections: 0.0791
• Weighted residual factors for significantly intense reflections: 0.1606
• Weighted residual factors for all reflections included in the refinement: 0.2163
• Goodness-of-fit parameter for all reflections included in the refinement: 0.904
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes