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Information card for entry 7132806
Preview
| Coordinates | 7132806.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C27 H23 N |
|---|---|
| Calculated formula | C27 H23 N |
| SMILES | c1(cccc2ccccc12)N(c1ccccc1)CC(=C)/C=C/c1ccccc1 |
| Title of publication | Pd(II)-catalyzed hydroarylations/hydroalkenylations of terminal alkynes: regioselective synthesis of allylic, homoallylic, and 1,3-diene systems. |
| Authors of publication | Shinde, Jivan; Suresh, Sundaram; Kavala, Veerababurao; Yao, Ching-Fa |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2024 |
| Journal volume | 60 |
| Journal issue | 28 |
| Pages of publication | 3790 - 3793 |
| a | 9.4988 ± 0.0002 Å |
| b | 11.9651 ± 0.0003 Å |
| c | 17.3667 ± 0.0004 Å |
| α | 90° |
| β | 97.139 ± 0.001° |
| γ | 90° |
| Cell volume | 1958.49 ± 0.08 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 3 |
| 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 | 0.0548 |
| Residual factor for significantly intense reflections | 0.0492 |
| Weighted residual factors for significantly intense reflections | 0.1273 |
| Weighted residual factors for all reflections included in the refinement | 0.1342 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 290807 (current) | 2024-04-05 | cif/ Updating files of 7132806, 7132807 Original log message: Adding full bibliography for 7132806--7132807.cif. |
7132806.cif |
| 290406 | 2024-03-09 | cif/ Adding structures of 7132806, 7132807 via cif-deposit CGI script. |
7132806.cif |
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Users of the data should acknowledge the original authors of the
structural data.