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Information card for entry 2108675
Preview
| Coordinates | 2108675.cif |
|---|---|
| Structure factors | 2108675.hkl |
| Original paper (by DOI) | HTML |
| Formula | C23 H28 F N3 O8 |
|---|---|
| Calculated formula | C23 H28 F N3 O8 |
| Title of publication | Structural variety of heterosynthons in linezolid cocrystals with modified thermal properties |
| Authors of publication | Khalaji, Mehrnaz; Wróblewska, Aneta; Wielgus, Ewelina; Bujacz, Grzegorz D.; Dudek, Marta K.; Potrzebowski, Marek J. |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2020 |
| Journal volume | 76 |
| Journal issue | 5 |
| a | 6.428 ± 0.003 Å |
| b | 6.987 ± 0.003 Å |
| c | 52.001 ± 0.009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2335.5 ± 1.5 Å3 |
| Cell temperature | 100.01 ± 0.1 K |
| Ambient diffraction temperature | 100.01 ± 0.1 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 | 0.1661 |
| Residual factor for significantly intense reflections | 0.1428 |
| Weighted residual factors for significantly intense reflections | 0.3683 |
| Weighted residual factors for all reflections included in the refinement | 0.3967 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.652 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 256764 (current) | 2020-09-25 | cif/ hkl/ Adding structures of 2108674, 2108675, 2108676, 2108677, 2108678 via cif-deposit CGI script. |
2108675.cif 2108675.hkl |
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Users of the data should acknowledge the original authors of the
structural data.