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Information card for entry 4038454
Preview
| Coordinates | 4038454.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H13 Cl N2 O |
|---|---|
| Calculated formula | C19 H13 Cl N2 O |
| 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 | 31.575 ± 0.009 Å |
| b | 4.3839 ± 0.0012 Å |
| c | 25.202 ± 0.007 Å |
| α | 90° |
| β | 110.474 ± 0.005° |
| γ | 90° |
| Cell volume | 3268.1 ± 1.6 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0981 |
| Residual factor for significantly intense reflections | 0.063 |
| Weighted residual factors for significantly intense reflections | 0.199 |
| Weighted residual factors for all reflections included in the refinement | 0.2276 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.07 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 252553 (current) | 2020-06-03 | cif/ Adding structures of 4038454 via cif-deposit CGI script. |
4038454.cif |
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Users of the data should acknowledge the original authors of the
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