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Information card for entry 7232862
Preview
| Coordinates | 7232862.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C18 H14 O6 |
|---|---|
| Calculated formula | C18 H14 O6 |
| Title of publication | Copper-catalyzed intramolecular cross dehydrogenative coupling approach to coumestans from 2′-hydroxyl-3-arylcoumarins |
| Authors of publication | Song, Xianheng; Luo, Xiang; Sheng, Jianfei; Li, Jianheng; Zhu, Zefeng; Du, Zhibo; Miao, Hui; Yan, Meng; Li, Mingkang; Zou, Yong |
| Journal of publication | RSC Advances |
| Year of publication | 2019 |
| Journal volume | 9 |
| Journal issue | 30 |
| Pages of publication | 17391 |
| a | 9.1056 ± 0.0006 Å |
| b | 11.706 ± 0.0008 Å |
| c | 14.8314 ± 0.0008 Å |
| α | 78.547 ± 0.005° |
| β | 77.009 ± 0.005° |
| γ | 73.528 ± 0.006° |
| Cell volume | 1461.74 ± 0.17 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0764 |
| Residual factor for significantly intense reflections | 0.0641 |
| Weighted residual factors for significantly intense reflections | 0.1851 |
| Weighted residual factors for all reflections included in the refinement | 0.2124 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0177 |
| 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 |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7232862.cif |
| 215686 | 2019-06-04 | cif/ Adding structures of 7232862 via cif-deposit CGI script. |
7232862.cif |
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Users of the data should acknowledge the original authors of the
structural data.