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Information card for entry 1550711
Preview
Coordinates | 1550711.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C206.75 H280 N42 O42.75 Rb Si8 |
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Calculated formula | C206.75 H280 N42 O42.75 Rb Si8 |
SMILES | [Rb]([O]=c1[nH]c(nc2n(c(nc12)c1ccccc1)[C@@H]1O[C@@H]([C@H]2OC(O[C@@H]12)(C)C)CO[Si](C)(C)C(C)(C)C)N)([O]=c1[nH]c(nc2n(c(nc12)c1ccccc1)[C@@H]1O[C@@H]([C@H]2OC(O[C@@H]12)(C)C)CO[Si](C)(C)C(C)(C)C)N)([O]=c1[nH]c(nc2n(c(nc12)c1ccccc1)[C@@H]1O[C@@H]([C@H]2OC(O[C@@H]12)(C)C)CO[Si](C)(C)C(C)(C)C)N)([O]=c1[nH]c(nc2n(c(nc12)c1ccccc1)[C@@H]1O[C@@H]([C@H]2OC(O[C@@H]12)(C)C)CO[Si](C)(C)C(C)(C)C)N)([O]=c1[nH]c(nc2n(c(nc12)c1ccccc1)[C@@H]1O[C@@H]([C@H]2OC(O[C@@H]12)(C)C)CO[Si](C)(C)C(C)(C)C)N)([O]=c1[nH]c(nc2n(c(nc12)c1ccccc1)[C@@H]1O[C@@H]([C@H]2OC(O[C@@H]12)(C)C)CO[Si](C)(C)C(C)(C)C)N)([O]=c1[nH]c(nc2n(c(nc12)c1ccccc1)[C@@H]1O[C@@H]([C@H]2OC(O[C@@H]12)(C)C)CO[Si](C)(C)C(C)(C)C)N)([O]=c1[nH]c(nc2n(c(nc12)c1ccccc1)[C@@H]1O[C@@H]([C@H]2OC(O[C@@H]12)(C)C)CO[Si](C)(C)C(C)(C)C)N).OC.OC.OC.N#CC.N#CC |
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 | 43.381 ± 0.009 Å |
b | 43.722 ± 0.009 Å |
c | 14.181 ± 0.003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 26897 ± 10 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 18 |
Hermann-Mauguin space group symbol | P 21 21 2 |
Hall space group symbol | P 2 2ab |
Residual factor for all reflections | 0.1701 |
Residual factor for significantly intense reflections | 0.1474 |
Weighted residual factors for significantly intense reflections | 0.3511 |
Weighted residual factors for all reflections included in the refinement | 0.3615 |
Goodness-of-fit parameter for all reflections included in the refinement | 2.384 |
Diffraction radiation wavelength | 0.41328 Å |
Diffraction radiation type | synchrotron |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1550711.html
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Users of the data should acknowledge the original authors of the
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