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Information card for entry 8107384
Preview
| Coordinates | 8107384.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H18 N4 O4 |
|---|---|
| Calculated formula | C20 H18 N4 O4 |
| Title of publication | The crystal structure of 2-(7-(2,3-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]-pyrimidin-5-yl)-3-methoxyphenol, C20H18N4O4 |
| Authors of publication | Shin, Soon Young; Koh, Dongsoo |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2023 |
| Journal volume | 238 |
| Journal issue | 2 |
| Pages of publication | 167 - 169 |
| a | 7.67 ± 0.004 Å |
| b | 15.679 ± 0.008 Å |
| c | 29.17 ± 0.017 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3508 ± 3 Å3 |
| Cell temperature | 243 ± 2 K |
| Ambient diffraction temperature | 243 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.059 |
| Residual factor for significantly intense reflections | 0.0497 |
| Weighted residual factors for significantly intense reflections | 0.1301 |
| Weighted residual factors for all reflections included in the refinement | 0.1379 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 284490 (current) | 2023-06-16 | cif/ Adding structures of 8107384 via cif-deposit CGI script. |
8107384.cif |
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Users of the data should acknowledge the original authors of the
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