Information card for entry 8102070

Structure parameters

• Chemical name: 1,2-bis(pyridin-1-ium-4-yl)ethylene bis(5-fluorouracil-1-acetate)
• Formula: C24 H20 F2 N6 O8
• Calculated formula: C24 H20 F2 N6 O8
• Title of publication: Crystal structure of 1,2-bis(pyridin-1-ium-4-yl)ethylene bis(5-fluorouracil- 1-acetate), (C~12~H~12~N~2~)[C~6~H~4~FN~2~O~4~]~2~
• Authors of publication: Chen, F.; Xiang, G.-Q.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2006
• Journal volume: 221
• Journal issue: 4
• Pages of publication: 514 - 516
• a: 13.999 ± 0.008 Å
• b: 13.295 ± 0.007 Å
• c: 25.97 ± 0.015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4833 ± 5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.8107
• Residual factor for significantly intense reflections: 0.0782
• Weighted residual factors for significantly intense reflections: 0.1736
• Weighted residual factors for all reflections included in the refinement: 0.1933
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No