Information card for entry 4117061

Structure parameters

• Common name: cyclen-attached uracil dipicrate
• Formula: C25 H32 N12 O17
• Calculated formula: C25 H32 N12 O17
• Title of publication: Facile and Selective Electrostatic Stabilization of Uracil N(1)-Anion by a Proximate Protonated Amine: A Chemical Implication for Why Uracil N(1) Is Chosen for Glycosylation Site
• Authors of publication: Eiichi Kimura; Hideyuki Kitamura; Tohru Koike; Motoo Shiro
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1997
• Journal volume: 119
• Pages of publication: 10909 - 10919
• a: 9.295 ± 0.004 Å
• b: 19.67 ± 0.01 Å
• c: 8.886 ± 0.006 Å
• α: 94.36 ± 0.03°
• β: 102.95 ± 0.04°
• γ: 87.04 ± 0.04°
• Cell volume: 1577.7 ± 1.5 ų
• Cell temperature: 288.2 K
• Ambient diffraction temperature: 288.2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.081
• Goodness-of-fit parameter for significantly intense reflections: 1.79
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No