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Information card for entry 1573539
Preview
| Coordinates | 1573539.cif |
|---|---|
| Original IUCr paper | HTML |
| Common name | 3-Iodoaniline |
|---|---|
| Chemical name | 3-Iodoaniline |
| Formula | C6 H6 I N |
| Calculated formula | C6 H6 I N |
| Title of publication | 3-Iodoaniline |
| Authors of publication | Slamang, Ferhan; Hosten, Eric Cyriel; Betz, Richard |
| Journal of publication | IUCrData |
| Year of publication | 2024 |
| Journal volume | 9 |
| Journal issue | 12 |
| a | 5.0748 ± 0.0003 Å |
| b | 12.9872 ± 0.0008 Å |
| c | 20.6243 ± 0.0012 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1359.29 ± 0.14 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0549 |
| Residual factor for significantly intense reflections | 0.0481 |
| Weighted residual factors for significantly intense reflections | 0.0772 |
| Weighted residual factors for all reflections included in the refinement | 0.0794 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.25 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 296968 (current) | 2024-12-25 | cif/ Adding structures of 1573539 via cif-deposit CGI script. |
1573539.cif |
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Users of the data should acknowledge the original authors of the
structural data.