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Information card for entry 4038062
Preview
| Coordinates | 4038062.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C18 H21 Cl N4 O2 S |
|---|---|
| Calculated formula | C18 H21 Cl N4 O2 S |
| Title of publication | Sulfonyl Group Dance: A Tool for the Synthesis of 6-Azido-2-sulfonylpurine Derivatives. |
| Authors of publication | Zaķis, Ja Nis Miķelis; Ozols, Kristers; Novosjolova, Irina; Vilšķe Rsts, Reinis; Mishnev, Anatoly; Turks, Ma Ris |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2020 |
| Journal volume | 85 |
| Journal issue | 7 |
| Pages of publication | 4753 - 4771 |
| a | 6.2963 ± 0.0002 Å |
| b | 12.2014 ± 0.0003 Å |
| c | 12.3922 ± 0.0004 Å |
| α | 89.249 ± 0.002° |
| β | 79.699 ± 0.003° |
| γ | 81.512 ± 0.003° |
| Cell volume | 926.32 ± 0.05 Å3 |
| Cell temperature | 170 ± 2 K |
| Ambient diffraction temperature | 170 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0336 |
| Residual factor for significantly intense reflections | 0.0326 |
| Weighted residual factors for significantly intense reflections | 0.0898 |
| Weighted residual factors for all reflections included in the refinement | 0.0905 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301828 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/03/ Each referenced PubChem compound corresponds to the full crystal structure. |
4038062.cif |
| 250112 | 2020-04-04 | cif/ Updating files of 4038061, 4038062 Original log message: Adding full bibliography for 4038061--4038062.cif. |
4038062.cif |
| 249375 | 2020-03-14 | cif/ Adding structures of 4038062 via cif-deposit CGI script. |
4038062.cif |
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Users of the data should acknowledge the original authors of the
structural data.