Information card for entry 1550709

Structure parameters

• Formula: C216.5 H304.75 F6 K N48.25 O40 P Si8
• Calculated formula: C216.5 H280 F6 K N48.25 O40 P 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: 43.3567 ± 0.0017 Å
• b: 43.6708 ± 0.0016 Å
• c: 14.0917 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 26681.5 ± 1.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• 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: 0.1203
• Residual factor for significantly intense reflections: 0.0972
• Weighted residual factors for significantly intense reflections: 0.2632
• Weighted residual factors for all reflections included in the refinement: 0.2889
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No