Information card for entry 2003858

Structure parameters

• Common name: 1-methylinosine
• Formula: C11 H14 N4 O5
• Calculated formula: C11 H14 N4 O5
• SMILES: n1(C)cnc2c(c1=O)ncn2[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: 10.622 ± 0.002 Å
• b: 13.662 ± 0.003 Å
• c: 16.525 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2398.1 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.076
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for all reflections: 0.1668
• Weighted residual factors for significantly intense reflections: 0.1287
• Goodness-of-fit parameter for all reflections: 1.084
• Goodness-of-fit parameter for significantly intense reflections: 0.98
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No