Information card for entry 4117062

Structure parameters

• Common name: cyclen-attached uracil zinc complex
• Formula: C13 H25 Cl N6 O7 Zn
• Calculated formula: C13 H25 Cl N6 O7 Zn
• 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: 9.461 ± 0.003 Å
• b: 13.156 ± 0.004 Å
• c: 8.687 ± 0.002 Å
• α: 101.21 ± 0.02°
• β: 103.55 ± 0.02°
• γ: 73.21 ± 0.02°
• Cell volume: 997 ± 0.5 ų
• Cell temperature: 296.2 K
• Ambient diffraction temperature: 296.2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0626
• Weighted residual factors for significantly intense reflections: 0.093
• Goodness-of-fit parameter for significantly intense reflections: 1.782
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No