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Information card for entry 1543376
Preview
| Coordinates | 1543376.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C31 H26 O P2 |
|---|---|
| Calculated formula | C31 H26 O P2 |
| SMILES | c1(ccccc1)P(c1ccccc1)c1c(cccc1)P(c1ccccc1)c1ccccc1OC |
| Title of publication | Designing P-Chirogenic 1,2-Diphosphinobenzenes at Both P-Centers Using P(III)-Phosphinites |
| Authors of publication | Bayardon, Jérôme; Rousselin, Yoann; Jugé, Sylvain |
| Journal of publication | Organic Letters |
| Year of publication | 2016 |
| a | 9.4876 ± 0.0004 Å |
| b | 8.0486 ± 0.0003 Å |
| c | 16.3501 ± 0.0007 Å |
| α | 90° |
| β | 104.642 ± 0.002° |
| γ | 90° |
| Cell volume | 1207.98 ± 0.09 Å3 |
| Cell temperature | 115 ± 2 K |
| Ambient diffraction temperature | 115 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 | 0.0368 |
| Residual factor for significantly intense reflections | 0.0354 |
| Weighted residual factors for significantly intense reflections | 0.0794 |
| Weighted residual factors for all reflections included in the refinement | 0.0808 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 183190 (current) | 2016-06-01 | cif/ Adding structures of 1543376, 1543377, 1543378 via cif-deposit CGI script. |
1543376.cif |
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Users of the data should acknowledge the original authors of the
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