Information card for entry 4114131

Structure parameters

• Formula: C351.3 H555.9 Ba2 Cl12.5 N95.4 O110.1 Si16
• Calculated formula: C351.32 H543.74 Ba2 Cl12.54 N95.4 O110.1 Si16
• Title of publication: Lipophilic G-Quadruplexes Are Self-Assembled Ion Pair Receptors, and the Bound Anion Modulates the Kinetic Stability of These Complexes
• Authors of publication: Xiaodong Shi; Katherine M. Mullaugh; James C. Fettinger; Yun Jiang; Steven A. Hofstadler; Jeffery T. Davis
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 10830 - 10841
• a: 46.662 ± 0.004 Å
• b: 24.259 ± 0.002 Å
• c: 45.111 ± 0.004 Å
• α: 90°
• β: 93.139 ± 0.002°
• γ: 90°
• Cell volume: 50988 ± 8 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 7
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.1011
• Residual factor for significantly intense reflections: 0.0872
• Weighted residual factors for significantly intense reflections: 0.228
• Weighted residual factors for all reflections included in the refinement: 0.2369
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No