Information card for entry 1551898

Structure parameters

• Formula: C620 H1016 I8 K8 N160 O168 Si32
• Calculated formula: C620 H1016 I8 K8 N160 O168 Si32
• SMILES: [K]123([O](=c4[nH]c(nc5n(cnc45)[C@@H]4O[C@@H]([C@H]5OC(O[C@@H]45)(C)C)CO[Si](C)(C)C(C)(C)C)N)[K]456([O](=c7[nH]c(nc8n(cnc78)[C@@H]7O[C@@H]([C@H]8OC(O[C@@H]78)(C)C)CO[Si](C)(C)C(C)(C)C)N)[K]789([O](c%10/[nH]c(nc%11n(cnc%10%11)[C@@H]%10O[C@@H]([C@H]%11OC(O[C@@H]%10%11)(C)C)CO[Si](C)(C)C(C)(C)C)N)[K]([O]=c%10[nH]c(nc%11n(cnc%10%11)[C@@H]%10O[C@@H]([C@H]%11OC(O[C@@H]%10%11)(C)C)CO[Si](C)(C)C(C)(C)C)N)([O]7=c7[nH]c(nc%10n(cnc7%10)[C@@H]7O[C@@H]([C@H]%10OC(O[C@@H]7%10)(C)C)CO[Si](C)(C)C(C)(C)C)N)([O]=c7[nH]c(nc%10n(cnc7%10)[C@@H]7O[C@@H]([C@H]%10OC(O[C@@H]7%10)(C)C)CO[Si](C)(C)C(C)(C)C)N)([O]8=c7[nH]c(nc8n(cnc78)[C@@H]7O[C@@H]([C@H]8OC(O[C@@H]78)(C)C)CO[Si](C)(C)C(C)(C)C)N)([O]=c7[nH]c(nc8n(cnc78)[C@@H]7O[C@@H]([C@H]8OC(O[C@@H]78)(C)C)CO[Si](C)(C)C(C)(C)C)N)([O]9=c7[nH]c(nc8n(cnc78)[C@@H]7O[C@@H]([C@H]8OC(O[C@@H]78)(C)C)CO[Si](C)(C)C(C)(C)C)N)[O]=c7[nH]c(nc8n(cnc78)[C@@H]7O[C@@H]([C@H]8OC(O[C@@H]78)(C)C)CO[Si](C)(C)C(C)(C)C)N)([O]4=c4[nH]c(nc7n(cnc47)[C@@H]4O[C@@H]([C@H]7OC(O[C@@H]47)(C)C)CO[Si](C)(C)C(C)(C)C)N)([O]5=c4[nH]c(nc5n(cnc45)[C@@H]4O[C@@H]([C@H]5OC(O[C@@H]45)(C)C)CO[Si](C)(C)C(C)(C)C)N)[O]6=c4[nH]c(nc5n(cnc45)[C@@H]4O[C@@H]([C@H]5OC(O[C@@H]45)(C)C)CO[Si](C)(C)C(C)(C)C)N)([O]1=c1[nH]c(nc4n(cnc14)[C@@H]1O[C@@H]([C@H]4OC(O[C@@H]14)(C)C)CO[Si](C)(C)C(C)(C)C)N)([O]2=c1[nH]c(nc2n(cnc12)[C@@H]1O[C@@H]([C@H]2OC(O[C@@H]12)(C)C)CO[Si](C)(C)C(C)(C)C)N)[O]3=c1[nH]c(nc2n(cnc12)[C@@H]1O[C@@H]([C@H]2OC(O[C@@H]12)(C)C)CO[Si](C)(C)C(C)(C)C)N)([O]=C(C)C)([O]=C(C)C)([O]=C(C)C)OC(C)C.[I-].[I-].O.[I-].[I-].O
• Title of publication: G-quadruplex self-assembly regulated by Coulombic interactions
• Authors of publication: David Gonzalez-Rodriguez; Joost L. J. van Dongen; Martin Lutz; Anthony L. Spek; Albertus P. H. J. Schenning; E. W. Meijer
• Journal of publication: Nature Chemistry
• Year of publication: 2009
• Journal volume: 1
• Pages of publication: 151 - 155
• a: 32.4066 ± 0.0002 Å
• b: 32.4066 ± 0.0002 Å
• c: 23.1808 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 24344.2 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 75
• Hermann-Mauguin space group symbol: P 4
• Hall space group symbol: P 4
• Residual factor for all reflections: 0.0984
• Residual factor for significantly intense reflections: 0.0724
• Weighted residual factors for significantly intense reflections: 0.1922
• Weighted residual factors for all reflections included in the refinement: 0.2065
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No