Information card for entry 2100753

Structure parameters

• Formula: C10 H15 N3 O4
• Calculated formula: C10 H15 N3 O4
• SMILES: OC[C@H]1O[C@H](CC[C@@H]1O)n1ccc(nc1=O)N
• Title of publication: 1-(2,3-Dideoxy-<i>erythro</i>-β-<small>D</small>-hexopyranosyl)cytosine: an example of the conformational and stacking properties of pyranosyl pyrimidine nucleosides. A crystallographic and computational approach
• Authors of publication: De Winter, H. L.; De Ranter, C. J.; Blaton, N. M.; Peeters, O. M.; Van Aerschot, A.; Herdewijn, P.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 1992
• Journal volume: 48
• Journal issue: 1
• Pages of publication: 95 - 103
• a: 7.4013 ± 0.0004 Å
• b: 8.7563 ± 0.0005 Å
• c: 17.392 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1127.14 ± 0.11 ų
• Number of distinct elements: 4
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: Cu
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No