Information card for entry 2007919

Structure parameters

• Chemical name: 1-(4-hydroxy-5-hydroxymethyltetrahydrofuran-2-yl)-5-methyl-4-methylamino- (1H)-pyrimidin-2-one
• Formula: C11 H17 N3 O4
• Calculated formula: C11 H17 N3 O4
• SMILES: n1(c(=O)nc(NC)c(C)c1)[C@H]1C[C@H](O)[C@H](O1)CO
• Title of publication: <i>N</i>^4^,5-Dimethyl-2'-deoxycytidine
• Authors of publication: Audette, Gerald F.; Kumar, Sashi V.P.; Gupta, Sagar V.; Quail, J. Wilson
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 12
• Pages of publication: 1987 - 1990
• a: 7.436 ± 0.002 Å
• b: 8.438 ± 0.002 Å
• c: 19.607 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1230.2 ± 0.5 ų
• Cell temperature: 287 ± 2 K
• Ambient diffraction temperature: 287 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: 0.0565
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for all reflections included in the refinement: 0.1064
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.7093 Å
• Diffraction radiation type: MolybdenumKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No