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Information card for entry 4038455
Preview
| Coordinates | 4038455.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C41.5 H41 N2 O2.5 |
|---|---|
| Calculated formula | C41.5 H41 N2 O2.5 |
| Title of publication | Photocatalyst-Free Singlet Oxygen-Induced Oxygenation: A Strategy for the Preparation of 5-Cyano-2-Pyridones Driven by Blue-Light Irradiation. |
| Authors of publication | Zhang, Mengmeng; Lan, Hanyang; Li, Nan; Zhong, Qidi; Zhu, Hao; Liu, Chunyan; Zhao, Hong-Wu |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2020 |
| a | 21.705 ± 0.008 Å |
| b | 18.455 ± 0.006 Å |
| c | 17.774 ± 0.007 Å |
| α | 90° |
| β | 112.216 ± 0.006° |
| γ | 90° |
| Cell volume | 6591 ± 4 Å3 |
| Cell temperature | 128.15 K |
| Ambient diffraction temperature | 128.15 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0907 |
| Residual factor for significantly intense reflections | 0.0647 |
| Weighted residual factors for significantly intense reflections | 0.1375 |
| Weighted residual factors for all reflections included in the refinement | 0.1531 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.138 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 252554 (current) | 2020-06-03 | cif/ Adding structures of 4038455 via cif-deposit CGI script. |
4038455.cif |
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Users of the data should acknowledge the original authors of the
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