Information card for entry 2003857

Structure parameters

• Common name: 3-methyluridine
• Formula: C10 H14 N2 O6
• Calculated formula: C10 H14 N2 O6
• SMILES: N1(C(=O)N(C)C(=O)C=C1)[C@H]1[C@H](O)[C@H](O)[C@H](O1)CO
• Title of publication: Two Methylated Ribonucleosides: 3-Methyluridine and 1-Methylinosine
• Authors of publication: Partridge, B. L.; Pritchard, C. E.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 9
• Pages of publication: 1929 - 1932
• a: 20.019 ± 0.004 Å
• b: 6.878 ± 0.001 Å
• c: 8.923 ± 0.002 Å
• α: 90°
• β: 112.87 ± 0.03°
• γ: 90°
• Cell volume: 1132 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0442
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for all reflections: 0.1254
• Weighted residual factors for significantly intense reflections: 0.1029
• Goodness-of-fit parameter for all reflections: 1.141
• Goodness-of-fit parameter for significantly intense reflections: 0.946
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No