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Information card for entry 7063347
Preview
| Coordinates | 7063347.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | N-(1-(Bromomethyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-yl)trifluoromethanesulfonamide |
|---|---|
| Formula | C11 H17 Br F3 N O2 S |
| Calculated formula | C11 H17 Br F3 N O2 S |
| Title of publication | Halosulfonamidation of camphene: chemo and stereoselectivity, rearrangement, solvent interception, heterocyclization |
| Authors of publication | Moskalik, Mikhail Yu.; Garagan, Ivan A.; Shainyan, Bagrat A.; Yarovaya, Olga I.; Ganin, Anton S.; Astakhova, Vera V.; Sterkhova, Irina V.; Zinchenko, Sergey V.; Salakhutdinov, Nariman F.; Radzhabov, Amirbek D. |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2024 |
| Journal volume | 48 |
| Journal issue | 30 |
| Pages of publication | 13506 - 13513 |
| a | 7.6458 ± 0.0008 Å |
| b | 8.4634 ± 0.001 Å |
| c | 11.3756 ± 0.0008 Å |
| α | 75.804 ± 0.008° |
| β | 81.317 ± 0.007° |
| γ | 85.101 ± 0.009° |
| Cell volume | 704.55 ± 0.12 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0589 |
| Residual factor for significantly intense reflections | 0.0426 |
| Weighted residual factors for significantly intense reflections | 0.0971 |
| Weighted residual factors for all reflections included in the refinement | 0.1012 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.974 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 293916 (current) | 2024-08-05 | cif/ Updating files of 7063345, 7063346, 7063347, 7063348, 7063349 Original log message: Adding full bibliography for 7063345--7063349.cif. |
7063347.cif |
| 293380 | 2024-07-12 | cif/ Adding structures of 7063345, 7063346, 7063347, 7063348, 7063349 via cif-deposit CGI script. |
7063347.cif |
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Users of the data should acknowledge the original authors of the
structural data.