Information card for entry 2237596

Structure parameters

• Chemical name: 3-Methyl-2-vinylpyridinium phosphate
• Formula: C8 H12 N O4 P
• Calculated formula: C8 H12 N O4 P
• SMILES: c1ccc(c(C=C)[nH+]1)C.[O-]P(=O)(O)O
• Title of publication: 3-Methyl-2-vinylpyridinium phosphate
• Authors of publication: Kalaiselvi, Ganesan; Sabari, Vijayakumar; Balasubramanian, Sengottuvelan; Aravindhan, Sanmargam
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 4
• Pages of publication: o487
• a: 7.7089 ± 0.0006 Å
• b: 16.3668 ± 0.0013 Å
• c: 8.0649 ± 0.0006 Å
• α: 90°
• β: 109.689 ± 0.004°
• γ: 90°
• Cell volume: 958.06 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0436
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.1091
• Weighted residual factors for all reflections included in the refinement: 0.1135
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes