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Information card for entry 1529850
Preview
| Coordinates | 1529850.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H12 Br F2 N3 |
|---|---|
| Calculated formula | C16 H12 Br F2 N3 |
| Title of publication | Difluoromethylation of Terminal Alkynes by Fluoroform. |
| Authors of publication | Okusu, Satoshi; Tokunaga, Etsuko; Shibata, Norio |
| Journal of publication | Organic letters |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 15 |
| Pages of publication | 3802 - 3805 |
| a | 15.027 ± 0.003 Å |
| b | 8.8571 ± 0.0017 Å |
| c | 11.123 ± 0.003 Å |
| α | 90° |
| β | 96.542 ± 0.002° |
| γ | 90° |
| Cell volume | 1470.8 ± 0.6 Å3 |
| Cell temperature | 153 K |
| Ambient diffraction temperature | 153 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 significantly intense reflections | 0.0732 |
| Weighted residual factors for all reflections included in the refinement | 0.2197 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.134 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 154509 (current) | 2015-09-05 | cif/ Adding structures of 1529850 via cif-deposit CGI script. |
1529850.cif |
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Users of the data should acknowledge the original authors of the
structural data.