Information card for entry 4032105

Structure parameters

• Formula: C11 H14 N6 O6
• Calculated formula: C11 H14 N6 O6
• SMILES: O[C@H]1[C@H]2n3nnnc3[C@@]1(O[C@H]2N1C(=O)NC(=O)C(C)=C1)CO.O
• Title of publication: Triazole- and Tetrazole-Bridged Nucleic Acids: Synthesis, Duplex Stability, Nuclease Resistance, and in Vitro and in Vivo Antisense Potency.
• Authors of publication: Mitsuoka, Yasunori; Yamamoto, Tsuyoshi; Kugimiya, Akira; Waki, Reiko; Wada, Fumito; Tahara, Saori; Sawamura, Motoki; Noda, Mio; Fujimura, Yuko; Kato, Yuki; Hari, Yoshiyuki; Obika, Satoshi
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• Journal volume: 82
• Journal issue: 1
• Pages of publication: 12 - 24
• a: 6.53502 ± 0.00016 Å
• b: 12.7185 ± 0.0003 Å
• c: 16.1657 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1343.62 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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
• Residual factor for all reflections: 0.0735
• Residual factor for significantly intense reflections: 0.0573
• Weighted residual factors for significantly intense reflections: 0.1303
• Weighted residual factors for all reflections included in the refinement: 0.1559
• Goodness-of-fit parameter for all reflections included in the refinement: 1.135
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No