Information card for entry 1562116

Structure parameters

• Formula: C554 H856 B3 Cs3 F72 N109 O90.25 Si40
• Calculated formula: C554 H856 B3 Cs3 F72 N109 O90.25 Si40
• Title of publication: Anion mediated, tunable isoguanosine self-assemblies: decoding the conformation influence and solvent effects.
• Authors of publication: Liu, Mengjia; He, Ying; Shan, Chuan; Wojtas, Lukasz; Ghiviriga, Ion; Fathalla, Omar; Yan, Yu; Li, Xiaopeng; Shi, Xiaodong
• Journal of publication: Chemical science
• Year of publication: 2021
• Journal volume: 12
• Journal issue: 21
• Pages of publication: 7569 - 7574
• a: 26.3005 ± 0.0016 Å
• b: 46.071 ± 0.003 Å
• c: 30.4842 ± 0.0018 Å
• α: 90°
• β: 91.29 ± 0.004°
• γ: 90°
• Cell volume: 36928 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 8
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1252
• Residual factor for significantly intense reflections: 0.1013
• Weighted residual factors for significantly intense reflections: 0.2578
• Weighted residual factors for all reflections included in the refinement: 0.2823
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No