Information card for entry 1550710

Structure parameters

• Formula: C222.52 H296 Ba N43.76 O51.5 Si8
• Calculated formula: C222.534 H296 Ba N43.767 O51.5 Si8
• 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: 28.1 ± 0.05 Å
• b: 36.715 ± 0.002 Å
• c: 29.3334 ± 0.0018 Å
• α: 90°
• β: 98.061 ± 0.003°
• γ: 90°
• Cell volume: 29964 ± 5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1504
• Residual factor for significantly intense reflections: 0.1184
• Weighted residual factors for significantly intense reflections: 0.306
• Weighted residual factors for all reflections included in the refinement: 0.3391
• Goodness-of-fit parameter for all reflections included in the refinement: 1.299
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No