Information card for entry 2209446

Structure parameters

• Common name: tetramethylbenzidine
• Chemical name: 4,4'-Diamino-2,2',6,6'-tetramethylbiphenyl
• Formula: C16 H20 N2
• Calculated formula: C16 H20 N2
• SMILES: Nc1cc(c(c(c1)C)c1c(cc(N)cc1C)C)C
• Title of publication: 4,4'-Diamino-2,2',6,6'-tetramethylbiphenyl
• Authors of publication: Batsanov, Andrei S.; Low, Paul J.; Paterson, Michael A. J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 7
• Pages of publication: o2973 - o2975
• a: 11.393 ± 0.002 Å
• b: 16.523 ± 0.003 Å
• c: 22.487 ± 0.003 Å
• α: 90°
• β: 99.96 ± 0.01°
• γ: 90°
• Cell volume: 4169.3 ± 1.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.064
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.1263
• Weighted residual factors for all reflections included in the refinement: 0.1404
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes