Information card for entry 2224469

Structure parameters

• Chemical name: 7-Chloro-3,3-dimethyl-9-phenyl-1,2,3,4-tetrahydroacridin-1-one
• Formula: C21 H18 Cl N O
• Calculated formula: C21 H18 Cl N O
• SMILES: Clc1ccc2nc3c(c(c2c1)c1ccccc1)C(=O)CC(C3)(C)C
• Title of publication: 7-Chloro-3,3-dimethyl-9-phenyl-1,2,3,4-tetrahydroacridin-1-one
• Authors of publication: Loh, Wan-Sin; Fun, Hoong-Kun; Sarveswari, S.; Vijayakumar, V.; Reddy, B. Palakshi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: o3237 - o3238
• a: 9.8375 ± 0.0001 Å
• b: 10.0525 ± 0.0001 Å
• c: 10.1076 ± 0.0001 Å
• α: 79.162 ± 0.001°
• β: 63.389 ± 0.001°
• γ: 70.928 ± 0.001°
• Cell volume: 843.588 ± 0.017 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.059
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.102
• Weighted residual factors for all reflections included in the refinement: 0.111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes