Information card for entry 4114594

Structure parameters

• Common name: 5'-tert-butyldimethylsilyl-2',3'-isopropylidene guanosine-Cs/Na picrate G-quartet
• Formula: C357 H546 Cs0.92 N106.5 Na3.08 O108 Si16
• Calculated formula: C89.255 H133.14 Cs0.2325 N26.63 Na0.7675 O27 Si4
• Title of publication: The Sodium Ions Inside a Lipophilic G-Quadruplex Channel as Probed by Solid-State 23Na NMR
• Authors of publication: Alan Wong; James C. Fettinger; Scott L. Forman; Jeffery T. Davis; Gang Wu
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2002
• Journal volume: 124
• Pages of publication: 742 - 743
• a: 30.622 ± 0.007 Å
• b: 30.622 ± 0.007 Å
• c: 25.748 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 24144 ± 11 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 7
• Space group number: 79
• Hermann-Mauguin space group symbol: I 4
• Hall space group symbol: I 4
• Residual factor for all reflections: 0.0819
• Residual factor for significantly intense reflections: 0.062
• Weighted residual factors for significantly intense reflections: 0.1666
• Weighted residual factors for all reflections included in the refinement: 0.185
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No