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Information card for entry 4036978
Preview
| Coordinates | 4036978.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H21 N5 O6 |
|---|---|
| Calculated formula | C18.001 H21 N5 O6 |
| Title of publication | Structural Studies of Supramolecular G-Quadruplexes Formed from 8-Aryl-2'-deoxyguanosine Derivatives. |
| Authors of publication | García-Arriaga, Marilyn; Hobley, Gerard; Rivera, José M |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2016 |
| Journal volume | 81 |
| Journal issue | 14 |
| Pages of publication | 6026 - 6035 |
| a | 7.4228 ± 0.0019 Å |
| b | 11.744 ± 0.003 Å |
| c | 21.248 ± 0.005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1852.3 ± 0.8 Å3 |
| Cell temperature | 300 ± 2 K |
| Ambient diffraction temperature | 300 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.1814 |
| Residual factor for significantly intense reflections | 0.0915 |
| Weighted residual factors for significantly intense reflections | 0.122 |
| Weighted residual factors for all reflections included in the refinement | 0.1398 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.163 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 235504 (current) | 2019-11-23 | cif/ Adding structures of 4036978 via cif-deposit CGI script. |
4036978.cif |
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Users of the data should acknowledge the original authors of the
structural data.