Information card for entry 4020723

Structure parameters

• Formula: C44 H52 N4 O24
• Calculated formula: C44 H52 N4 O24
• SMILES: O1[C@@H](OCc2c(N(=O)=O)cc(OC)c(OC)c2)[C@@H](O)C[C@H]1OCc1c(N(=O)=O)cc(OC)c(OC)c1
• Title of publication: Preparation and Analysis of Oligonucleotides Containing Lesions Resulting from C5'-Oxidation
• Authors of publication: Tetsuya Kodama; Marc M. Greenberg
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 9916 - 9924
• a: 9.3699 ± 0.001 Å
• b: 10.4362 ± 0.0012 Å
• c: 13.2079 ± 0.0018 Å
• α: 101.103 ± 0.011°
• β: 94.95 ± 0.01°
• γ: 111.346 ± 0.01°
• Cell volume: 1163 ± 0.2 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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