Information card for entry 2010228

Structure parameters

• Formula: C10 H15 N3 O5
• Calculated formula: C10 H15 N3 O5
• SMILES: OC[C@H]1O[C@H](C[C@@H]1O)n1cc(CO)c(nc1=O)N
• Title of publication: Structure and conformation of 5-hydroxymethyl-2'-deoxycytidine, C~10~H~15~N~3~O~5~
• Authors of publication: Li, J.; Kumar, S.V.P.; Stuart, A.L.; Delbaere, L.T.J.; Gupta, S.V.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 11
• Pages of publication: 1837 - 1839
• a: 5.011 ± 0.0004 Å
• b: 13.01 ± 0.003 Å
• c: 8.922 ± 0.001 Å
• α: 90°
• β: 93.15 ± 0.008°
• γ: 90°
• Cell volume: 580.77 ± 0.16 ų
• Cell temperature: 287 ± 1 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.036
• Goodness-of-fit parameter for significantly intense reflections: 3.274
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No