Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1543377
Preview
| Coordinates | 1543377.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C34 H28 Fe P2 |
|---|---|
| Calculated formula | C34 H28 Fe P2 |
| SMILES | [Fe]12345678([cH]9[cH]4[cH]3[cH]2[cH]19)[cH]1[c]5([cH]6[cH]7[cH]81)P(c1ccccc1)c1ccccc1P(c1ccccc1)c1ccccc1 |
| 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 | 12.391 ± 0.0006 Å |
| b | 8.0519 ± 0.0004 Å |
| c | 14.1295 ± 0.0005 Å |
| α | 90° |
| β | 107.842 ± 0.002° |
| γ | 90° |
| Cell volume | 1341.92 ± 0.11 Å3 |
| Cell temperature | 115 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 | 0.0332 |
| Residual factor for significantly intense reflections | 0.032 |
| Weighted residual factors for significantly intense reflections | 0.0702 |
| Weighted residual factors for all reflections included in the refinement | 0.0712 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 183190 (current) | 2016-06-01 | cif/ Adding structures of 1543376, 1543377, 1543378 via cif-deposit CGI script. |
1543377.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.