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Information card for entry 8104615
Preview
| Coordinates | 8104615.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H16 Cl F N2 O2.5 |
|---|---|
| Calculated formula | C17 H16 Cl F N2 O2.5 |
| Title of publication | Crystal structure of (E)-N′-(1-(3-chloro-4-fluorophenyl)ethylidene)-4-hydroxy – tetrahydrofuran (2/1), C17H16ClFN2O2.5 |
| Authors of publication | Bao, Xiaobo; Tian, Chongchong |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2021 |
| Journal volume | 236 |
| Journal issue | 6 |
| Pages of publication | 1383 - 1384 |
| a | 7.4495 ± 0.0006 Å |
| b | 16.5328 ± 0.0013 Å |
| c | 12.8519 ± 0.001 Å |
| α | 90° |
| β | 91.329 ± 0.001° |
| γ | 90° |
| Cell volume | 1582.4 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0644 |
| Residual factor for significantly intense reflections | 0.0508 |
| Weighted residual factors for significantly intense reflections | 0.1371 |
| Weighted residual factors for all reflections included in the refinement | 0.1461 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.09 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 273224 (current) | 2022-03-03 | cif/ Adding structures of 8104615 via cif-deposit CGI script. |
8104615.cif |
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Users of the data should acknowledge the original authors of the
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