Information card for entry 2231293

Structure parameters

• Chemical name: 4-<i>tert</i>-Butyl-2-(4-<i>tert</i>-butylpyridin-2-yl)pyridinium nitrate
• Formula: C18 H25 N3 O3
• Calculated formula: C18 H25 N3 O3
• SMILES: O=N(=O)[O-].[nH+]1c(c2nccc(c2)C(C)(C)C)cc(cc1)C(C)(C)C
• Title of publication: 4-<i>tert</i>-Butyl-2-(4-<i>tert</i>-butylpyridin-2-yl)pyridinium nitrate
• Authors of publication: Wu, Wen-Sheng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 8
• Pages of publication: o2070
• a: 11.606 ± 0.005 Å
• b: 9.77 ± 0.004 Å
• c: 16.199 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1836.8 ± 1.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0577
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.1007
• Weighted residual factors for all reflections included in the refinement: 0.1118
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes