Information card for entry 2205455

Structure parameters

• Chemical name: 7-Methyl-1-(β-D-erythro-pentofuranosyl)-1H-benzimidazol-2(3H)-one
• Formula: C13 H16 N2 O5
• Calculated formula: C13 H16 N2 O5
• SMILES: O=C1Nc2cccc(C)c2N1[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)CO
• Title of publication: 7-Methyl-1-(β-<small>D</small>-<i>erythro</i>-pentofuranosyl)-1<i>H</i>-benzimidazol-2(3<i>H</i>)-one
• Authors of publication: Qi, Ji; Hui, Guo; Hai-Bin, Song; Fei, Huang; Ji-Ben, Meng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 4
• Pages of publication: o1147 - o1149
• a: 6.741 ± 0.004 Å
• b: 9.119 ± 0.005 Å
• c: 20.465 ± 0.011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1258 ± 1.2 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: 0.0379
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for significantly intense reflections: 0.0782
• Weighted residual factors for all reflections included in the refinement: 0.0804
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes