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Information card for entry 4038843
Preview
| Coordinates | 4038843.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H22 N O3 P |
|---|---|
| Calculated formula | C28 H22 N O3 P |
| Title of publication | Ir(III)-Catalyzed C-H Functionalization of Triphenylphosphine Oxide Towards 3-Aryl Oxindoles. |
| Authors of publication | Lou, Qin-Xin; Niu, Yuan; Qi, Zhi-Chao; Yang, Shang-Dong |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2020 |
| a | 8.3188 ± 0.0008 Å |
| b | 9.3992 ± 0.0011 Å |
| c | 15.4909 ± 0.0009 Å |
| α | 75.866 ± 0.007° |
| β | 82.881 ± 0.006° |
| γ | 74.752 ± 0.009° |
| Cell volume | 1130.91 ± 0.19 Å3 |
| Cell temperature | 291.63 ± 0.1 K |
| Ambient diffraction temperature | 291.63 ± 0.1 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.096 |
| Residual factor for significantly intense reflections | 0.0752 |
| Weighted residual factors for significantly intense reflections | 0.2115 |
| Weighted residual factors for all reflections included in the refinement | 0.2443 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.104 |
| 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 |
|---|---|---|---|
| 256833 (current) | 2020-09-30 | cif/ Adding structures of 4038843 via cif-deposit CGI script. |
4038843.cif |
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Users of the data should acknowledge the original authors of the
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