Information card for entry 2004337

Structure parameters

• Chemical name: 5-Dimethylamino-2-methoxy-3-methyl-6-[1,2-(Z)-dicarbomethoxyvinyl]amino pyrimidin-4-(3H)-one
• Formula: C14 H20 N4 O6
• Calculated formula: C14 H20 N4 O6
• Title of publication: 6-[1,2-(<i>Z</i>)-Bis(methoxycarbonyl)vinyl]amino-5-dimethylamino-2-methoxy-3-methyl-4(3<i>H</i>)-pyrimidinone
• Authors of publication: Low, J. N.; Ferguson, G.; Cobo, J.; Nogueras, M.; Sánchez, A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 1
• Pages of publication: 254 - 256
• a: 8.7777 ± 0.0007 Å
• b: 16.8264 ± 0.0018 Å
• c: 11.3773 ± 0.0009 Å
• α: 90°
• β: 93.077 ± 0.007°
• γ: 90°
• Cell volume: 1678 ± 0.3 ų
• Cell temperature: 294 ± 1 K
• Ambient diffraction temperature: 294 ± 1 K
• Number of distinct elements: 4
• 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: 0.0607
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for all reflections: 0.1169
• Weighted residual factors for significantly intense reflections: 0.1098
• Goodness-of-fit parameter for all reflections: 1.058
• Goodness-of-fit parameter for significantly intense reflections: 1.197
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No