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Information card for entry 7134748
Preview
| Coordinates | 7134748.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C11 H10 Br F2 N O |
|---|---|
| Calculated formula | C11 H10 Br F2 N O |
| Title of publication | Pd-Catalyzed Enantioselective Reductive Heck Reaction of mono-Fluoro, gem-Difluoro, and Trifluoromethyl tethered-Alkenes |
| Authors of publication | Sihag, Naveen; Bhartiya, Hemaang; Jain, Swati; Singh, Jitendra; Rajagopala Reddy, S.; Yadav, M. Ramu |
| Journal of publication | Chemical Communications |
| Year of publication | 2025 |
| a | 7.2114 ± 0.0005 Å |
| b | 8.6463 ± 0.0005 Å |
| c | 17.6697 ± 0.0011 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1101.74 ± 0.12 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 6 |
| 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 | 0.068 |
| Residual factor for significantly intense reflections | 0.0649 |
| Weighted residual factors for significantly intense reflections | 0.1857 |
| Weighted residual factors for all reflections included in the refinement | 0.1874 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.171 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 300145 (current) | 2025-06-21 | cif/ Adding structures of 7134747, 7134748, 7134749 via cif-deposit CGI script. |
7134748.cif |
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Users of the data should acknowledge the original authors of the
structural data.