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Information card for entry 1550708
Preview
| Coordinates | 1550708.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C166.3 H168 K N40 O49.15 S5.1 |
|---|---|
| Calculated formula | C166.31 H168 K N40 O49.155 S5.105 |
| 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 | 56.969 ± 0.016 Å |
| b | 56.969 ± 0.016 Å |
| c | 56.969 ± 0.016 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 184891 ± 9 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 197 |
| Hermann-Mauguin space group symbol | I 2 3 |
| Hall space group symbol | I 2 2 3 |
| Residual factor for all reflections | 0.1698 |
| Residual factor for significantly intense reflections | 0.1286 |
| Weighted residual factors for significantly intense reflections | 0.3204 |
| Weighted residual factors for all reflections included in the refinement | 0.3403 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.97 |
| Diffraction radiation wavelength | 0.41328 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 214026 (current) | 2019-03-07 | cif/ Adding structures of 1550706, 1550707, 1550708, 1550709, 1550710, 1550711, 1550712 via cif-deposit CGI script. |
1550708.cif |
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Users of the data should acknowledge the original authors of the
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