Information card for entry 2108150

Structure parameters

• Formula: C9 H12 K N2 O9 P
• Calculated formula: C9 H12 K N2 O9 P
• SMILES: [K+].[O-]P(=O)(OC[C@H]1O[C@@H](N2C(=O)NC(=O)C=C2)[C@H](O)[C@@H]1O)O
• 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: 8.063 ± 0.0003 Å
• b: 10.4358 ± 0.0005 Å
• c: 16.0092 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1347.08 ± 0.1 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0124
• Residual factor for significantly intense reflections: 0.011
• Weighted residual factors for significantly intense reflections: 0.0141
• Weighted residual factors for all reflections included in the refinement: 0.0141
• Goodness-of-fit parameter for all reflections included in the refinement: 0.844
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No