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Information card for entry 7123589
Preview
| Coordinates | 7123589.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C28 H20 N4 O2 |
|---|---|
| Calculated formula | C28 H20 N4 O2 |
| Title of publication | Rhodium(III)-catalyzed tunable coupling reaction of indole derivatives with alkylidenecyclopropanes via C−H activation |
| Authors of publication | Shi, Min; Liu, Ruixing; Wei, Yin |
| Journal of publication | Chemical Communications |
| Year of publication | 2019 |
| a | 7.8352 ± 0.0004 Å |
| b | 11.9524 ± 0.0007 Å |
| c | 12.524 ± 0.0007 Å |
| α | 86.602 ± 0.002° |
| β | 78.708 ± 0.002° |
| γ | 75.444 ± 0.002° |
| Cell volume | 1113.18 ± 0.11 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.0536 |
| Residual factor for significantly intense reflections | 0.0414 |
| Weighted residual factors for significantly intense reflections | 0.1021 |
| Weighted residual factors for all reflections included in the refinement | 0.1125 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301860 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
7123589.cif |
| 215689 | 2019-06-05 | cif/ Adding structures of 7123589, 7123590 via cif-deposit CGI script. |
7123589.cif |
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Users of the data should acknowledge the original authors of the
structural data.