Information card for entry 2108151

Structure parameters

• Formula: C9 H12 K N2 O9 P
• Calculated formula: C9 H12 K N2 O9 P
• Title of publication: Multi-temperature study of potassium uridine-5'-monophosphate: electron density distribution and anharmonic motion modelling
• Authors of publication: Jarzembska, Katarzyna N.; Ślepokura, Katarzyna; Kamiński, Radosław; Gutmann, Matthias J.; Dominiak, Paulina M.; Woźniak, Krzysztof
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2017
• Journal volume: 73
• Journal issue: 4
• Pages of publication: 550 - 564
• a: 8.0754 ± 0.0016 Å
• b: 10.387 ± 0.002 Å
• c: 16 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1342.1 ± 0.4 ų
• Cell temperature: 10 K
• Ambient diffraction temperature: 10 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0827
• Residual factor for significantly intense reflections: 0.0811
• Weighted residual factors for significantly intense reflections: 0.0868
• Weighted residual factors for all reflections included in the refinement: 0.0885
• Goodness-of-fit parameter for all reflections included in the refinement: 2.74
• Diffraction radiation type: neutron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No