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Information card for entry 4513807
Preview
| Coordinates | 4513807.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H21 N |
|---|---|
| Calculated formula | C26 H21 N |
| SMILES | N#Cc1c(C2=C(C(c3c2cccc3)C(=C)C)Cc2ccccc2)cccc1 |
| Title of publication | Palladium Tandem Catalysis in the Atropodiastereoselective Synthesis of Indenes Bearing Central and Axial Chirality |
| Authors of publication | Borie, Cyril; Vanthuyne, Nicolas; Bertrand, Michèle P.; Siri, Didier; Nechab, Malek |
| Journal of publication | ACS Catalysis |
| Year of publication | 2016 |
| Journal volume | 6 |
| Journal issue | 3 |
| Pages of publication | 1559 |
| a | 8.219 ± 0.0004 Å |
| b | 10.1031 ± 0.0006 Å |
| c | 12.1768 ± 0.0006 Å |
| α | 86.213 ± 0.004° |
| β | 78.34 ± 0.004° |
| γ | 86.602 ± 0.004° |
| Cell volume | 987.01 ± 0.09 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0476 |
| Residual factor for significantly intense reflections | 0.0411 |
| Weighted residual factors for significantly intense reflections | 0.1028 |
| Weighted residual factors for all reflections included in the refinement | 0.1098 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181420 (current) | 2016-04-04 | cif/ Updating files of 4513807 Original log message: Adding full bibliography for 4513807.cif. |
4513807.cif |
| 175478 | 2016-02-04 | cif/ Adding structures of 4513807 via cif-deposit CGI script. |
4513807.cif |
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Users of the data should acknowledge the original authors of the
structural data.