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Information card for entry 1562117
Preview
| Coordinates | 1562117.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C20 H24 Cl N5 O5.5 |
|---|---|
| Calculated formula | C20 H24 Cl N5 O5.5 |
| Title of publication | Anion mediated, tunable isoguanosine self-assemblies: decoding the conformation influence and solvent effects. |
| Authors of publication | Liu, Mengjia; He, Ying; Shan, Chuan; Wojtas, Lukasz; Ghiviriga, Ion; Fathalla, Omar; Yan, Yu; Li, Xiaopeng; Shi, Xiaodong |
| Journal of publication | Chemical science |
| Year of publication | 2021 |
| Journal volume | 12 |
| Journal issue | 21 |
| Pages of publication | 7569 - 7574 |
| a | 9.0849 ± 0.0004 Å |
| b | 21.33 ± 0.001 Å |
| c | 23.003 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4457.5 ± 0.3 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 5 |
| 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 | 0.0276 |
| Residual factor for significantly intense reflections | 0.026 |
| Weighted residual factors for significantly intense reflections | 0.0636 |
| Weighted residual factors for all reflections included in the refinement | 0.0647 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301787 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 1/56 Each referenced PubChem compound corresponds to the full crystal structure. |
1562117.cif |
| 268617 | 2021-09-06 | cif/ Updating files of 1562116, 1562117, 1562118 Original log message: Adding full bibliography for 1562116--1562118.cif. |
1562117.cif |
| 264562 | 2021-04-27 | cif/ Adding structures of 1562116, 1562117, 1562118 via cif-deposit CGI script. |
1562117.cif |
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Users of the data should acknowledge the original authors of the
structural data.