Information card for entry 2108154

Structure parameters

• Formula: C9 H12 K N2 O9 P
• Calculated formula: C9 H12 K N2 O9 P
• SMILES: [K+].P(=O)(OC[C@H]1O[C@@H](N2C(=O)NC(=O)C=C2)[C@H](O)[C@@H]1O)(O)[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: 8.0835 ± 0.0002 Å
• b: 10.5221 ± 0.0003 Å
• c: 16.0738 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1367.16 ± 0.06 ų
• Cell temperature: 300 K
• Ambient diffraction temperature: 300 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: 0.0336
• Residual factor for significantly intense reflections: 0.0194
• Weighted residual factors for significantly intense reflections: 0.0222
• Weighted residual factors for all reflections included in the refinement: 0.0222
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No