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Information card for entry 1550712
Preview
| Coordinates | 1550712.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C228.75 H322.25 Ba Cl5 N46 O54 Si8 |
|---|---|
| Calculated formula | C228.75 H322.25 Ba Cl5 N46 O54 Si8 |
| 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 | 29.5563 ± 0.0008 Å |
| b | 30.8599 ± 0.001 Å |
| c | 33.3264 ± 0.001 Å |
| α | 90° |
| β | 90.621 ± 0.002° |
| γ | 90° |
| Cell volume | 30395.4 ± 1.6 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.1506 |
| Residual factor for significantly intense reflections | 0.1087 |
| Weighted residual factors for significantly intense reflections | 0.289 |
| Weighted residual factors for all reflections included in the refinement | 0.334 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| 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. |
1550712.cif |
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