Information card for entry 4035721

Structure parameters

• Formula: C26 H22 N2
• Calculated formula: C26 H22 N2
• SMILES: c12c(cccc1)N(c1c(cccc1)N2c1ccc(cc1)C)c1ccc(cc1)C
• Title of publication: Aerobic Oxidative Homo- and Cross-Coupling of Amines Catalyzed by Phenazine Radical Cations.
• Authors of publication: Brišar, Rok; Unglaube, Felix; Hollmann, Dirk; Jiao, Haijun; Mejía, Esteban
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2018
• Journal volume: 83
• Journal issue: 21
• Pages of publication: 13481 - 13490
• a: 14.1476 ± 0.0004 Å
• b: 8.5323 ± 0.0003 Å
• c: 16.5469 ± 0.0005 Å
• α: 90°
• β: 105.099 ± 0.0011°
• γ: 90°
• Cell volume: 1928.45 ± 0.11 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0509
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.1251
• Weighted residual factors for all reflections included in the refinement: 0.1324
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No