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Information card for entry 7224964
Preview
| Coordinates | 7224964.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H16 Br2 N4 O4 |
|---|---|
| Calculated formula | C18 H16 Br2 N4 O4 |
| Title of publication | Halogen bonding of N-bromosuccinimide by grinding |
| Authors of publication | Mavračić, Juraj; Cinčić, Dominik; Kaitner, Branko |
| Journal of publication | CrystEngComm |
| Year of publication | 2016 |
| Journal volume | 18 |
| Journal issue | 19 |
| Pages of publication | 3343 |
| a | 24.013 ± 0.001 Å |
| b | 4.8573 ± 0.0002 Å |
| c | 18.3684 ± 0.0007 Å |
| α | 90° |
| β | 110.975 ± 0.004° |
| γ | 90° |
| Cell volume | 2000.49 ± 0.15 Å3 |
| Cell temperature | 295 K |
| Ambient diffraction temperature | 295 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0968 |
| Residual factor for significantly intense reflections | 0.0328 |
| Weighted residual factors for significantly intense reflections | 0.0482 |
| Weighted residual factors for all reflections included in the refinement | 0.0522 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.705 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 185294 (current) | 2016-08-07 | cif/ Updating files of 7224964, 7224965 Original log message: Adding full bibliography for 7224964--7224965.cif. |
7224964.cif |
| 182226 | 2016-04-21 | cif/ Adding structures of 7224964, 7224965 via cif-deposit CGI script. |
7224964.cif |
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Users of the data should acknowledge the original authors of the
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