Information card for entry 1550711

Structure parameters

• Formula: C206.75 H280 N42 O42.75 Rb Si8
• Calculated formula: C206.75 H280 N42 O42.75 Rb Si8
• SMILES: [Rb]([O]=c1[nH]c(nc2n(c(nc12)c1ccccc1)[C@@H]1O[C@@H]([C@H]2OC(O[C@@H]12)(C)C)CO[Si](C)(C)C(C)(C)C)N)([O]=c1[nH]c(nc2n(c(nc12)c1ccccc1)[C@@H]1O[C@@H]([C@H]2OC(O[C@@H]12)(C)C)CO[Si](C)(C)C(C)(C)C)N)([O]=c1[nH]c(nc2n(c(nc12)c1ccccc1)[C@@H]1O[C@@H]([C@H]2OC(O[C@@H]12)(C)C)CO[Si](C)(C)C(C)(C)C)N)([O]=c1[nH]c(nc2n(c(nc12)c1ccccc1)[C@@H]1O[C@@H]([C@H]2OC(O[C@@H]12)(C)C)CO[Si](C)(C)C(C)(C)C)N)([O]=c1[nH]c(nc2n(c(nc12)c1ccccc1)[C@@H]1O[C@@H]([C@H]2OC(O[C@@H]12)(C)C)CO[Si](C)(C)C(C)(C)C)N)([O]=c1[nH]c(nc2n(c(nc12)c1ccccc1)[C@@H]1O[C@@H]([C@H]2OC(O[C@@H]12)(C)C)CO[Si](C)(C)C(C)(C)C)N)([O]=c1[nH]c(nc2n(c(nc12)c1ccccc1)[C@@H]1O[C@@H]([C@H]2OC(O[C@@H]12)(C)C)CO[Si](C)(C)C(C)(C)C)N)([O]=c1[nH]c(nc2n(c(nc12)c1ccccc1)[C@@H]1O[C@@H]([C@H]2OC(O[C@@H]12)(C)C)CO[Si](C)(C)C(C)(C)C)N).OC.OC.OC.N#CC.N#CC
• Title of publication: Construction of cross-layer linked G-octamer via conformational control: stable G-quadruplex in H-bond competitive solvent
• Authors of publication: Shi, Xiaodong; He, Ying; Zhang, Yanbin; Wojtas, Lukasz; Ahkmedov, Novruz G.; Thai, David; Wang, Heng; Li, Xiaopeng; Guo, Hao
• Journal of publication: Chemical Science
• Year of publication: 2019
• a: 43.381 ± 0.009 Å
• b: 43.722 ± 0.009 Å
• c: 14.181 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 26897 ± 10 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.1701
• Residual factor for significantly intense reflections: 0.1474
• Weighted residual factors for significantly intense reflections: 0.3511
• Weighted residual factors for all reflections included in the refinement: 0.3615
• Goodness-of-fit parameter for all reflections included in the refinement: 2.384
• Diffraction radiation wavelength: 0.41328 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No