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Information card for entry 7134749
Preview
| Coordinates | 7134749.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C11 H10 F2 I N O |
|---|---|
| Calculated formula | C11 H10 F2 I 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 | 20.4768 ± 0.0011 Å |
| b | 11.5083 ± 0.0006 Å |
| c | 14.185 ± 0.0008 Å |
| α | 90° |
| β | 132.601 ± 0.001° |
| γ | 90° |
| Cell volume | 2460.5 ± 0.2 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0398 |
| Residual factor for significantly intense reflections | 0.0285 |
| Weighted residual factors for significantly intense reflections | 0.0622 |
| Weighted residual factors for all reflections included in the refinement | 0.0682 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0381 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| 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. |
7134749.cif |
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Users of the data should acknowledge the original authors of the
structural data.