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Information card for entry 7241086
Preview
| Coordinates | 7241086.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C13 H13 N O |
|---|---|
| Calculated formula | C13 H13 N O |
| SMILES | O=C1c2[nH]c3ccccc3c2CC(C1)C |
| Title of publication | Copper-catalyzed tri- or tetrafunctionalization of alkenylboronic acids to prepare tetrahydrocarbazol-1-ones and indolo[2,3-a]carbazoles |
| Authors of publication | Bi, Hong-Yan; Li, Cheng-Jing; Wei, Cui; Liang, Cui; Mo, Dong-Liang |
| Journal of publication | Green Chemistry |
| Year of publication | 2020 |
| Journal volume | 22 |
| Journal issue | 17 |
| Pages of publication | 5815 - 5821 |
| a | 5.923 ± 0.003 Å |
| b | 8.454 ± 0.004 Å |
| c | 10.773 ± 0.005 Å |
| α | 78.722 ± 0.006° |
| β | 76.248 ± 0.006° |
| γ | 86.236 ± 0.006° |
| Cell volume | 513.8 ± 0.4 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296.15 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 | 0.0549 |
| Residual factor for significantly intense reflections | 0.0507 |
| Weighted residual factors for significantly intense reflections | 0.139 |
| Weighted residual factors for all reflections included in the refinement | 0.1435 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.082 |
| 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. |
7241086.cif |
| 257590 | 2020-10-06 | cif/ Updating files of 7241086 Original log message: Adding full bibliography for 7241086.cif. |
7241086.cif |
| 256121 | 2020-09-06 | cif/ Updating files of 7241086 Original log message: Adding full bibliography for 7241086.cif. |
7241086.cif |
| 255507 | 2020-08-21 | cif/ Adding structures of 7241086 via cif-deposit CGI script. |
7241086.cif |
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Users of the data should acknowledge the original authors of the
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