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Information card for entry 4126326
Preview
| Coordinates | 4126326.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C31 H24 N2 O |
|---|---|
| Calculated formula | C31 H24 N2 O |
| Title of publication | Copper-Catalyzed Arylation of Benzylic C-H bonds with Alkylarenes as the Limiting Reagents. |
| Authors of publication | Zhang, Wen; Chen, Pinhong; Liu, Guosheng |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2017 |
| Journal volume | 139 |
| Journal issue | 23 |
| Pages of publication | 7709 - 7712 |
| a | 42.558 ± 0.006 Å |
| b | 7.4566 ± 0.001 Å |
| c | 15.434 ± 0.002 Å |
| α | 90° |
| β | 99.516 ± 0.003° |
| γ | 90° |
| Cell volume | 4830.4 ± 1.1 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0754 |
| Residual factor for significantly intense reflections | 0.0528 |
| Weighted residual factors for significantly intense reflections | 0.1356 |
| Weighted residual factors for all reflections included in the refinement | 0.1494 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301834 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
4126326.cif |
| 199527 | 2017-08-04 | cif/ Adding structures of 4126326 via cif-deposit CGI script. |
4126326.cif |
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Users of the data should acknowledge the original authors of the
structural data.