Information card for entry 8101004

Structure parameters

• Formula: C16 H18 N2 O9
• Calculated formula: C16 H18 N2 O9
• SMILES: O=c1ccn2[C@@H]3O[C@@H]([C@H]([C@@]3(Oc2n1)COC(=O)C)OC(=O)C)COC(=O)C
• Title of publication: Crystal structure of 3',5'-di-O-acetyl-2'-C-α-acetyl-oxymethyl- 2,2'-anhydro-1-(β-D-arabinofuranosyl)uracil, C~16~H~18~N~2~O~9~
• Authors of publication: Dai, Qing; Piccirilli, Joseph A.; Zheng, Chong; Li, Shoujian
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2001
• Journal volume: 216
• Journal issue: 3
• Pages of publication: 343 - 346
• a: 8.215 ± 0.002 Å
• b: 9.826 ± 0.003 Å
• c: 21.721 ± 0.006 Å
• α: 94.987 ± 0.007°
• β: 96.316 ± 0.006°
• γ: 90.005 ± 0.006°
• Cell volume: 1735.9 ± 0.8 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No