Information card for entry 2238930

Structure parameters

• Chemical name: 5-Acetyl-4-(3-hydroxyphenyl)-6-methyl-1,2,3,4-tetrahydropyrimidin-2-one‒tris(hydroxymethyl)ammonium chloride (2/1)
• Formula: C29 H38 Cl N5 O9
• Calculated formula: C29 H38 Cl N5 O9
• Title of publication: 5-Acetyl-4-(3-hydroxyphenyl)-6-methyl-1,2,3,4-tetrahydropyrimidin-2-one‒tris(hydroxymethyl)ammonium chloride (2/1)
• Authors of publication: Huq, C. A. M. A.; Fouzia, S.; NizamMohideen, M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 12
• Pages of publication: o1766 - o1767
• a: 15.7317 ± 0.0007 Å
• b: 7.2634 ± 0.0012 Å
• c: 28.8121 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3292.2 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0636
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.1399
• Weighted residual factors for all reflections included in the refinement: 0.1573
• Goodness-of-fit parameter for all reflections included in the refinement: 0.883
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No