Information card for entry 7226104

Structure parameters

• Chemical name: 10-Methyl-9-(4-aminophenyl)-9,10-dihydroacridine
• Formula: C20 H18 N2
• Calculated formula: C20 H18 N2
• SMILES: N1(c2ccccc2C(c2c1cccc2)c1ccc(N)cc1)C
• Title of publication: C-H Functionalization of azines. Anodic dehydroaromatization of 9-(hetero)aryl-9,10-dihydroacridines
• Authors of publication: Shchepochkin, Alexandr; Chupakhin, Oleg N.; Charushin, Valery; Steglenko, Dmitry; Minkin, Vladimir I.; Rusinov, Gennady; Matern, Anatoly
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 8.4601 ± 0.0003 Å
• b: 10.9097 ± 0.0005 Å
• c: 16.1704 ± 0.0006 Å
• α: 90°
• β: 94.11 ± 0.003°
• γ: 90°
• Cell volume: 1488.64 ± 0.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• 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: 0.058199
• Residual factor for significantly intense reflections: 0.044044
• Weighted residual factors for all reflections included in the refinement: 0.133602
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05545
• Diffraction radiation wavelength: 0.71073 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No