Information card for entry 2228921

Structure parameters

• Chemical name: 2,4,6-Trimethylpyridinium dihydrogen phosphate
• Formula: C8 H14 N O4 P
• Calculated formula: C8 H14 N O4 P
• SMILES: P(=O)(O)(O)[O-].[nH+]1c(C)cc(cc1C)C
• Title of publication: 2,4,6-Trimethylpyridinium dihydrogen phosphate
• Authors of publication: Dai, Jing; Xu, Jie
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 1
• Pages of publication: o149
• a: 7.9501 ± 0.0016 Å
• b: 15.324 ± 0.003 Å
• c: 9.0252 ± 0.0018 Å
• α: 90°
• β: 97.97 ± 0.03°
• γ: 90°
• Cell volume: 1088.9 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0584
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.0947
• Weighted residual factors for all reflections included in the refinement: 0.1011
• 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