Information card for entry 8100778

Structure parameters

• Formula: C17 H26 N2 O5
• Calculated formula: C17 H26 N2 O5
• SMILES: N1(C(=O)NC(=O)C(=C1)C)[C@@H]1[C@@H]2O[C@H](OC)[C@H]1CCCCCC[C@@H]2O.N1(C(=O)NC(=O)C(=C1)C)[C@H]1[C@H]2O[C@@H](OC)[C@@H]1CCCCCC[C@H]2O
• Title of publication: Crystal structure of (2'R*,3'R*,4'R*,5'R*,6'R*)-1-(6'-hydroxy-5'-methoxy- 2',3',4',5'-tetrahydro-2',4'-heptanofuran-3'-yl)-5-methyl-(1H,3H)- pyrimidine-2,4-dione, [C~4~H~4~O(OCH~3~)(C~5~H~5~N~2~O~2~)](C~7~H~13~OH)
• Authors of publication: Peters, Karl; Taugerbeck, Andreas; Tochtermann, Werner
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2002
• Journal volume: 217
• Journal issue: 4
• Pages of publication: 577 - 578
• a: 10.481 ± 0.001 Å
• b: 17.158 ± 0.001 Å
• c: 10.525 ± 0.001 Å
• α: 90°
• β: 106.11 ± 0.01°
• γ: 90°
• Cell volume: 1818.4 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No