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Information card for entry 1555313
Preview
| Coordinates | 1555313.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C25 H17 Cl |
|---|---|
| Calculated formula | C25 H17 Cl |
| SMILES | Clc1ccc([C@H](C#Cc2ccccc2)c2cc3ccccc3cc2)cc1 |
| Title of publication | Palladium-Catalyzed Stereospecific Decarboxylative Benzylation of Alkynes. |
| Authors of publication | Mendis, Shehani N.; Tunge, Jon A. |
| Journal of publication | Organic letters |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 21 |
| Pages of publication | 5164 - 5167 |
| a | 10.027 ± 0.002 Å |
| b | 5.4598 ± 0.0013 Å |
| c | 16.953 ± 0.004 Å |
| α | 90° |
| β | 106.348 ± 0.004° |
| γ | 90° |
| Cell volume | 890.6 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0255 |
| Residual factor for significantly intense reflections | 0.0255 |
| Weighted residual factors for significantly intense reflections | 0.0661 |
| Weighted residual factors for all reflections included in the refinement | 0.0661 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 238462 (current) | 2019-11-24 | cif/ Adding structures of 1555313 via cif-deposit CGI script. |
1555313.cif |
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