Information card for entry 2007154

Structure parameters

• Formula: C6 H9 N3 O5 S
• Calculated formula: C6 H9 N3 O5 S
• Title of publication: Two New Structures of 5-Nitrouracil
• Authors of publication: Kennedy, Alan R.; Okoth, Maurice O.; Sheen, David B.; Sherwood, John N.; Vrcelj, Ranko M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 4
• Pages of publication: 547 - 550
• a: 8.858 ± 0.001 Å
• b: 6.9619 ± 0.0006 Å
• c: 15.822 ± 0.001 Å
• α: 90°
• β: 95.823 ± 0.008°
• γ: 90°
• Cell volume: 970.68 ± 0.15 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.035
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for all reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.0492
• Goodness-of-fit parameter for significantly intense reflections: 2.132
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No