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Information card for entry 7235236
Preview
| Coordinates | 7235236.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C23 H19 N O |
|---|---|
| Calculated formula | C23 H19 N O |
| Title of publication | Metal-free graphene oxide-catalyzed aza-semipinacol rearrangement to prepare 2-(indol-2-yl)phenols and benzofuro[3,2-b]indolines containing quaternary carbon centers |
| Authors of publication | Zhao, Hong-Ping; Liang, Gui-Chao; Nie, Shu-Min; Lu, Xiuqiang; Pan, Cheng-Xue; Zhong, Xin-Xian; Su, Gui-Fa; Mo, Dong-Liang |
| Journal of publication | Green Chemistry |
| Year of publication | 2020 |
| Journal volume | 22 |
| Journal issue | 2 |
| Pages of publication | 404 - 410 |
| a | 12.012 ± 0.003 Å |
| b | 9.465 ± 0.003 Å |
| c | 15.801 ± 0.005 Å |
| α | 90° |
| β | 91.447 ± 0.005° |
| γ | 90° |
| Cell volume | 1795.9 ± 0.9 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296.15 K |
| Number of distinct elements | 4 |
| 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 | 0.075 |
| Residual factor for significantly intense reflections | 0.0448 |
| Weighted residual factors for significantly intense reflections | 0.116 |
| Weighted residual factors for all reflections included in the refinement | 0.1352 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| 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. |
7235236.cif |
| 257595 | 2020-10-06 | cif/ Updating files of 7235236 Original log message: Adding full bibliography for 7235236.cif. |
7235236.cif |
| 247763 | 2020-02-04 | cif/ Updating files of 7235236 Original log message: Adding full bibliography for 7235236.cif. |
7235236.cif |
| 231111 | 2019-11-21 | cif/ Adding structures of 7235236 via cif-deposit CGI script. |
7235236.cif |
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Users of the data should acknowledge the original authors of the
structural data.