Information card for entry 1550712

Structure parameters

• Formula: C228.75 H322.25 Ba Cl5 N46 O54 Si8
• Calculated formula: C228.75 H322.25 Ba Cl5 N46 O54 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: 29.5563 ± 0.0008 Å
• b: 30.8599 ± 0.001 Å
• c: 33.3264 ± 0.001 Å
• α: 90°
• β: 90.621 ± 0.002°
• γ: 90°
• Cell volume: 30395.4 ± 1.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1506
• Residual factor for significantly intense reflections: 0.1087
• Weighted residual factors for significantly intense reflections: 0.289
• Weighted residual factors for all reflections included in the refinement: 0.334
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No