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Information card for entry 8106921
Preview
| Coordinates | 8106921.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C25 H26 N4 O4 S |
|---|---|
| Calculated formula | C25 H26 N4 O4 S |
| Title of publication | Crystal structure of N,N-diethyl-2-(2-(6-(4-methoxybenzyl)-7-oxo-7H-thiazolo[3,3-b][1,2,4]triazin-3-yl)phenoxy)acetamide, C25H26N4O4S |
| Authors of publication | Liu, Si-Jie; Shang, Ruo-Feng; Jia, PengFei; Wang, Xin; Song, Yu-Pin |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2016 |
| Journal volume | 231 |
| Journal issue | 2 |
| Pages of publication | 499 - 501 |
| a | 8.6698 ± 0.0017 Å |
| b | 9.4692 ± 0.0019 Å |
| c | 14.855 ± 0.003 Å |
| α | 87.8 ± 0.03° |
| β | 76.32 ± 0.03° |
| γ | 77.88 ± 0.03° |
| Cell volume | 1158.4 ± 0.4 Å3 |
| Cell temperature | 113 ± 2 K |
| Ambient diffraction temperature | 113 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0525 |
| Residual factor for significantly intense reflections | 0.0429 |
| Weighted residual factors for significantly intense reflections | 0.1192 |
| Weighted residual factors for all reflections included in the refinement | 0.126 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.129 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 281813 (current) | 2023-03-10 | cif/ Adding structures of 8106921 via cif-deposit CGI script. |
8106921.cif |
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Users of the data should acknowledge the original authors of the
structural data.