Information card for entry 2205708

Structure parameters

• Common name: α-thymidine
• Chemical name: 1-(2-Deoxy-α-D-ribofuranosyl)-5-methyluracil
• Formula: C10 H14 N2 O5
• Calculated formula: C10 H14 N2 O5
• SMILES: O=C1N(C=C(C(=O)N1)C)[C@H]1O[C@@H]([C@@H](O)C1)CO
• Title of publication: α-Thymidine at 105 K
• Authors of publication: Görbitz, Carl Henrik; Nelson, William H.; Sagstuen, Einar
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 5
• Pages of publication: o1207 - o1209
• a: 5.838 ± 0.002 Å
• b: 9.883 ± 0.004 Å
• c: 10.576 ± 0.004 Å
• α: 107.225 ± 0.014°
• β: 100.203 ± 0.014°
• γ: 98.894 ± 0.014°
• Cell volume: 559.5 ± 0.4 ų
• Cell temperature: 105 ± 2 K
• Ambient diffraction temperature: 105 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.034
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.085
• Weighted residual factors for all reflections included in the refinement: 0.0861
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes