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Information card for entry 1544216
Preview
| Coordinates | 1544216.cif |
|---|---|
| Structure factors | 1544216.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2-Methyl-<i>N</i>-(pyrazin-2-yl)propanamide‒1,2,4,5-tetrafluoro-3,6-diiodobenzene (2/1) |
|---|---|
| Formula | C11 H11 F2 I N3 O |
| Calculated formula | C11 H11 F2 I N3 O |
| Title of publication | 2-Methyl-<i>N</i>-(pyrazin-2-yl)propanamide‒1,2,4,5-tetrafluoro-3,6-diiodobenzene (2/1) |
| Authors of publication | Dziuk, Błażej; Ośmiałowski, Borys; Zarychta, Bartosz; Ejsmont, Krzysztof |
| Journal of publication | IUCrData |
| Year of publication | 2016 |
| Journal volume | 1 |
| Journal issue | 9 |
| Pages of publication | x161466 |
| a | 10.6503 ± 0.0002 Å |
| b | 10.6112 ± 0.0002 Å |
| c | 11.2086 ± 0.0002 Å |
| α | 90° |
| β | 97.857 ± 0.002° |
| γ | 90° |
| Cell volume | 1254.82 ± 0.04 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 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 | 0.016 |
| Residual factor for significantly intense reflections | 0.0145 |
| Weighted residual factors for significantly intense reflections | 0.0359 |
| Weighted residual factors for all reflections included in the refinement | 0.0363 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 186806 (current) | 2016-09-28 | cif/ hkl/ Adding structures of 1544216 via cif-deposit CGI script. |
1544216.cif 1544216.hkl |
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Users of the data should acknowledge the original authors of the
structural data.