Information card for entry 1101099

Structure parameters

• Common name: 3',5'-di-O-acetyl-N(4)-hydroxy-5-fluoro-2'-deoxycytidine
• Formula: C13 H16 F N3 O7
• Calculated formula: C13 H16 F N3 O7
• SMILES: N1C(C(F)=CN(C1=O)[C@@H]1O[C@@H]([C@@H](OC(=O)C)C1)COC(=O)C)=NO
• Authors of publication: Jarmula, Adam; Rypniewski, Wojciech R.; Felczak, Krzysztof; Rode, Wojciech
• Journal of publication: Struct. Chem.
• Year of publication: 2005
• Pages of publication: 541 - 549
• a: 21.72 ± 0.03 Å
• b: 8.72 ± 0.01 Å
• c: 8.61 ± 0.01 Å
• α: 90°
• β: 90.42 ± 0.1°
• γ: 90°
• Cell volume: 1631 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Ambient diffracton pressure: 101.3 kPa
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No