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Information card for entry 7242614
Preview
| Coordinates | 7242614.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C18 H13 N O |
|---|---|
| Calculated formula | C18 H13 N O |
| SMILES | n1c(c2ccccc2)cccc1C(=O)c1ccccc1 |
| Title of publication | Visible-light-initiated catalyst-free oxidative cleavage of (Z)-triaryl-substituted alkenes containing pyridyl motif under ambient conditions |
| Authors of publication | Li, Wenjing; Li, Shun; Luo, Lihua; Ge, Yicen; Xu, Jiaqi; Zheng, Xueli; Yuan, Maolin; Li, Ruixiang; Chen, Hua; Fu, Haiyan |
| Journal of publication | Green Chemistry |
| Year of publication | 2021 |
| Journal volume | 23 |
| Journal issue | 10 |
| Pages of publication | 3649 - 3655 |
| a | 7.1154 ± 0.0007 Å |
| b | 9.6387 ± 0.0008 Å |
| c | 10.8333 ± 0.0009 Å |
| α | 93.473 ± 0.007° |
| β | 98.583 ± 0.007° |
| γ | 109.416 ± 0.008° |
| Cell volume | 688.03 ± 0.11 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0737 |
| Residual factor for significantly intense reflections | 0.0502 |
| Weighted residual factors for significantly intense reflections | 0.1137 |
| Weighted residual factors for all reflections included in the refinement | 0.1315 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301870 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/24/ Each referenced PubChem compound corresponds to the full crystal structure. |
7242614.cif |
| 266112 | 2021-06-05 | cif/ Updating files of 7242614 Original log message: Adding full bibliography for 7242614.cif. |
7242614.cif |
| 263961 | 2021-04-08 | cif/ Adding structures of 7242614 via cif-deposit CGI script. |
7242614.cif |
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Users of the data should acknowledge the original authors of the
structural data.