Information card for entry 2007915

Structure parameters

• Common name: 6-Propylcytidine
• Chemical name: 1-(β-D-ribofuranosyl)-6-Propylcytosine
• Formula: C12 H19 N3 O5
• Calculated formula: C12 H19 N3 O5
• SMILES: CCCc1cc(N)nc(=O)n1[C@@H]1O[C@@H]([C@H]([C@H]1O)O)CO
• Title of publication: 1-(β-<small>D</small>-Ribofuranosyl)-6-propylcytosine
• Authors of publication: Birnbaum, Karin Bjåmer; Shugar, David; Felczak, Krzysztof
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 12
• Pages of publication: 1959 - 1961
• a: 16.734 ± 0.005 Å
• b: 7.83 ± 0.004 Å
• c: 12.028 ± 0.005 Å
• α: 90°
• β: 119.12 ± 0.03°
• γ: 90°
• Cell volume: 1376.8 ± 1.1 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.034
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for all reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.036
• Goodness-of-fit parameter for significantly intense reflections: 1.69
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MolybdenumKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No