Information card for entry 2008209

Structure parameters

• Chemical name: 2,4,6-Trymethylpyridinium ortho-nitro-benzoate
• Formula: C15 H16 N2 O4
• Calculated formula: C15 H16 N2 O4
• Title of publication: Three 2,4,6-trimethylpyridine–benzoic acid complexes at 150K
• Authors of publication: Foces-Foces, C.; Llamas-Saiz, A.L.; Lorente, P; Golubev, N.S.; Limbach, H.-H.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 3
• Pages of publication: 377 - 381
• a: 25.732 ± 0.003 Å
• b: 7.8359 ± 0.0004 Å
• c: 13.954 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2813.6 ± 0.4 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.068
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for all reflections: 0.077
• Weighted residual factors for significantly intense reflections: 0.07
• Goodness-of-fit parameter for all reflections: 0.944
• Goodness-of-fit parameter for significantly intense reflections: 0.947
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes