Information card for entry 7226102

Structure parameters

• Chemical name: 10-Methyl-9-phenyl-9,10-dihydroacridine
• Formula: C20 H17 N
• Calculated formula: C20 H17 N
• SMILES: N1(c2c(C(c3ccccc3)c3c1cccc3)cccc2)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: 5.48181 ± 0.00013 Å
• b: 10.7977 ± 0.0002 Å
• c: 24.0126 ± 0.0006 Å
• α: 90°
• β: 95.443 ± 0.002°
• γ: 90°
• Cell volume: 1414.92 ± 0.06 ų
• Cell temperature: 120.01 ± 0.1 K
• Ambient diffraction temperature: 120.01 ± 0.1 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: 0.0585
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.1352
• Weighted residual factors for all reflections included in the refinement: 0.1459
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No