Information card for entry 1550706

Structure parameters

• Formula: C452.15 H656.6 Cl6.5 K2 N86 O94 Si16
• Calculated formula: C452.15 H656.6 Cl6.5 K2 N86 O94 Si16
• 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: 30.32 ± 0.003 Å
• b: 22.277 ± 0.002 Å
• c: 44.399 ± 0.004 Å
• α: 90°
• β: 104.461 ± 0.0014°
• γ: 90°
• Cell volume: 29039 ± 5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 3
• Hermann-Mauguin space group symbol: P 1 2 1
• Hall space group symbol: P 2y
• Residual factor for all reflections: 0.1101
• Residual factor for significantly intense reflections: 0.0953
• Weighted residual factors for significantly intense reflections: 0.2614
• Weighted residual factors for all reflections included in the refinement: 0.283
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.44281 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No