Information card for entry 4117156

Structure parameters

• Formula: C16 H24 N3 O3
• Calculated formula: C16 H24 N3 O3
• SMILES: C12N(N(C(CC1)CC2)C(C)(C)C)c1ccccc1.N(=O)(=O)[O-]
• 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: 8.0115 ± 0.0004 Å
• b: 12.8872 ± 0.0006 Å
• c: 15.3184 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1581.56 ± 0.13 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0361
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for all reflections: 0.0862
• Weighted residual factors for significantly intense reflections: 0.0828
• Goodness-of-fit parameter for all reflections: 1.073
• Goodness-of-fit parameter for significantly intense reflections: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No