Information card for entry 4117157

Structure parameters

• Formula: C26 H42 N4
• Calculated formula: C26 H42 N4
• SMILES: C12CCC(CC1)N(N2c1ccc(N2C3CCC(CC3)N2C(C)(C)C)cc1)C(C)(C)C
• Title of publication: Charge Localization in a Dihydrazine Analogue of Tetramethyl-p-phenylenediamine Radical Cation
• Authors of publication: Stephen F. Nelsen; Rustem F. Ismagilov; Douglas R. Powell
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1996
• Journal volume: 118
• Pages of publication: 6313 - 6314
• a: 6.5 ± 0.0005 Å
• b: 7.2299 ± 0.0005 Å
• c: 13.3764 ± 0.001 Å
• α: 94.301 ± 0.002°
• β: 99.039 ± 0.002°
• γ: 105.083 ± 0.002°
• Cell volume: 594.98 ± 0.08 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0524
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for all reflections: 0.1226
• Weighted residual factors for significantly intense reflections: 0.1109
• Goodness-of-fit parameter for all reflections: 1.058
• Goodness-of-fit parameter for significantly intense reflections: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No