Information card for entry 2015151

Structure parameters

• Common name: (I)
• Chemical name: N-[2-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)propionyl]-L-phenylalanine
• Formula: C16 H18 N4 O4
• Calculated formula: C16 H18 N4 O4
• Title of publication: Cytosine-containing hybrid dipeptides: <i>N</i>-[2-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)propionyl]-<small>L</small>-phenylalanine <i>N</i>-[2-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)propionyl]-<small>L</small>-serine monohydrate and <i>N</i>-[2-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)propionyl]-<small>L</small>-lysine
• Authors of publication: Doi, Mitsunobu; Nakamoto, Yasuhiko; Asano, Akiko
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 10
• Pages of publication: o577 - o582
• a: 9.3587 ± 0.0012 Å
• b: 10.3445 ± 0.0013 Å
• c: 16.925 ± 0.002 Å
• α: 92.079 ± 0.002°
• β: 95.775 ± 0.002°
• γ: 95.245 ± 0.002°
• Cell volume: 1621.7 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.067
• Residual factor for significantly intense reflections: 0.0641
• Weighted residual factors for significantly intense reflections: 0.1478
• Weighted residual factors for all reflections included in the refinement: 0.1497
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes