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Information card for entry 7157168
Preview
| Coordinates | 7157168.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C19 H14 Cl N O3 |
|---|---|
| Calculated formula | C19 H14 Cl N O3 |
| Title of publication | Thermal-mediated [1,3]-hydrogen transfer as the key step: access to oxindole-chromone hybrid collection with structural diversity |
| Authors of publication | Gong, Ying; Xu, Sheng-Wen; Liu, Xiong-Wei; Li, Zheng; Liu, Xiong-Li; Yao, Zhen; Zhou, Ying |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2019 |
| a | 8.8644 ± 0.0007 Å |
| b | 11.2698 ± 0.0009 Å |
| c | 15.5335 ± 0.0013 Å |
| α | 90° |
| β | 98.749 ± 0.001° |
| γ | 90° |
| Cell volume | 1533.7 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0386 |
| Residual factor for significantly intense reflections | 0.0336 |
| Weighted residual factors for significantly intense reflections | 0.091 |
| Weighted residual factors for all reflections included in the refinement | 0.0946 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301861 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/15/ Each referenced PubChem compound corresponds to the full crystal structure. |
7157168.cif |
| 219508 | 2019-10-25 | cif/ Adding structures of 7157163, 7157164, 7157165, 7157166, 7157167, 7157168, 7157169, 7157170, 7157171 via cif-deposit CGI script. |
7157168.cif |
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Users of the data should acknowledge the original authors of the
structural data.