Information card for entry 7155151

Structure parameters

• Chemical name: 2?-N,4?-C-(Aminosulfonylmethylene)thymidine
• Formula: C11 H17 N3 O8 S
• Calculated formula: C11 H17 N3 O8 S
• SMILES: S1(=O)(=O)N[C@@H]2[C@H](O)[C@](O[C@H]2N2C(=O)NC(=O)C(C)=C2)(CO)C1.O
• Title of publication: Effect of an N-substituent in sulfonamide-bridged nucleic acid (SuNA) on hybridization ability and duplex structure.
• Authors of publication: Mitsuoka, Yasunori; Aoyama, Hiroshi; Kugimiya, Akira; Fujimura, Yuko; Yamamoto, Tsuyoshi; Waki, Reiko; Wada, Fumito; Tahara, Saori; Sawamura, Motoki; Noda, Mio; Hari, Yoshiyuki; Obika, Satoshi
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2016
• Journal volume: 14
• Journal issue: 27
• Pages of publication: 6531 - 6538
• a: 6.49177 ± 0.00015 Å
• b: 15.0859 ± 0.0003 Å
• c: 7.43648 ± 0.00019 Å
• α: 90°
• β: 104.76 ± 0.002°
• γ: 90°
• Cell volume: 704.25 ± 0.03 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0287
• Residual factor for significantly intense reflections: 0.0272
• Weighted residual factors for significantly intense reflections: 0.0705
• Weighted residual factors for all reflections included in the refinement: 0.0723
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No