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Information card for entry 7121437
Preview
| Coordinates | 7121437.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C28 H37 F2 N O2 |
|---|---|
| Calculated formula | C28 H37 F2 N O2 |
| Title of publication | A new approach to access difluoroalkylated diarylmethanes via visible-light photocatalytic cross-coupling reactions. |
| Authors of publication | Zhao, Yin-Na; Luo, Yong-Chun; Wang, Zhu-Yin; Xu, Peng-Fei |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2018 |
| Journal volume | 54 |
| Journal issue | 32 |
| Pages of publication | 3993 - 3996 |
| a | 10.6409 ± 0.0009 Å |
| b | 9.1391 ± 0.0007 Å |
| c | 12.7748 ± 0.001 Å |
| α | 90° |
| β | 91.516 ± 0.008° |
| γ | 90° |
| Cell volume | 1241.89 ± 0.17 Å3 |
| Cell temperature | 294.47 ± 0.1 K |
| Ambient diffraction temperature | 294.47 ± 0.1 K |
| Number of distinct elements | 5 |
| Space group number | 7 |
| Hermann-Mauguin space group symbol | P 1 n 1 |
| Hall space group symbol | P -2yac |
| Residual factor for all reflections | 0.0625 |
| Residual factor for significantly intense reflections | 0.0494 |
| Weighted residual factors for significantly intense reflections | 0.133 |
| Weighted residual factors for all reflections included in the refinement | 0.1499 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.969 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301860 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
7121437.cif |
| 228086 | 2019-11-17 | cif/ Updating files of 7121437 Original log message: Adding full bibliography for 7121437.cif. |
7121437.cif |
| 207104 | 2018-03-25 | cif/ Adding structures of 7121437 via cif-deposit CGI script. |
7121437.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
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.
Users of the data should acknowledge the original authors of the
structural data.