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Information card for entry 1551070
Preview
| Coordinates | 1551070.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H23 N O |
|---|---|
| Calculated formula | C26 H23 N O |
| SMILES | O=C([C@](c1ccccc1)(Cc1ccccc1)CC=C)n1ccc2ccccc12 |
| Title of publication | Palladium-catalyzed enantioselective decarboxylative allylic alkylation of fully substituted N-acyl indole-derived enol carbonates |
| Authors of publication | Alexy, Eric J.; Fulton, Tyler J.; Zhang, Haiming; Stoltz, Brian M. |
| Journal of publication | Chemical Science |
| Year of publication | 2019 |
| a | 11.2225 ± 0.001 Å |
| b | 6.4382 ± 0.0006 Å |
| c | 14.0893 ± 0.0013 Å |
| α | 90° |
| β | 99.6595 ± 0.0018° |
| γ | 90° |
| Cell volume | 1003.56 ± 0.16 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0265 |
| Residual factor for significantly intense reflections | 0.0265 |
| Weighted residual factors for significantly intense reflections | 0.0681 |
| Weighted residual factors for all reflections included in the refinement | 0.0682 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 215290 (current) | 2019-05-18 | cif/ Adding structures of 1551070 via cif-deposit CGI script. |
1551070.cif |
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