Information card for entry 2215178

Structure parameters

• Common name: 2-Amino-6-methylpyridinium Ferulate
• Chemical name: 2-Amino-6-methylpyridinium 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate monohydrate
• Formula: C16 H20 N2 O5
• Calculated formula: C16 H20 N2 O5
• Title of publication: 2-Amino-6-methylpyridinium 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate monohydrate
• Authors of publication: Si-Feng Ni; Wen-Jie Feng; Hui Guo; Zhi-Min Jin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 9
• Pages of publication: o3866 - o3866
• a: 11.266 ± 0.002 Å
• b: 9.711 ± 0.001 Å
• c: 15.024 ± 0.002 Å
• α: 90°
• β: 104.547 ± 0.008°
• γ: 90°
• Cell volume: 1591 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0419
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.072
• Weighted residual factors for all reflections included in the refinement: 0.0746
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes