Information card for entry 8100201

Structure parameters

• Formula: C15 H28 N2 O11
• Calculated formula: C15 H28 N2 O11
• SMILES: [C@@H]1([C@@H]([C@@H]([C@@H](CO)O1)O)OC1(CCOCC1)OC)N1C(=O)NC(=O)C=C1.O.O.O
• Title of publication: Crystal structure of 2'-O-(4-methoxy-tetrahydropyran-4-yl)-uridine trihydrate, C~15~H~22~N~2~O~8~ · 3H~2~O
• Authors of publication: Van Meervelt, Luc
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2004
• Journal volume: 219
• Journal issue: 4
• Pages of publication: 437 - 438
• a: 7.097 ± 0.004 Å
• b: 9.49 ± 0.006 Å
• c: 28.687 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1932.1 ± 1.7 ų
• Cell temperature: 289 ± 2 K
• Ambient diffraction temperature: 289 ± 2 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
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No