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Information card for entry 1546038
Preview
| Coordinates | 1546038.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C32 H38 P2 S2 |
|---|---|
| Calculated formula | C32 H38 P2 S2 |
| SMILES | S=P(C1CCCCC1)(C(=C\P(=S)(c1ccccc1)c1ccccc1)\c1ccccc1)C1CCCCC1 |
| Title of publication | Brønsted Base Mediated Stereoselective Diphosphination of Terminal Alkynes with Diphosphanes |
| Authors of publication | Okugawa, Yuto; Hirano, Koji; Miura, Masahiro |
| Journal of publication | Organic Letters |
| Year of publication | 2017 |
| a | 9.9187 ± 0.001 Å |
| b | 11.151 ± 0.011 Å |
| c | 15.866 ± 0.015 Å |
| α | 73.63 ± 0.05° |
| β | 73.24 ± 0.05° |
| γ | 67.98 ± 0.04° |
| Cell volume | 1528 ± 2 Å3 |
| Cell temperature | 173 K |
| Ambient diffraction temperature | 173 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0511 |
| Residual factor for significantly intense reflections | 0.042 |
| Weighted residual factors for significantly intense reflections | 0.0944 |
| Weighted residual factors for all reflections included in the refinement | 0.1026 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.113 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 196696 (current) | 2017-05-18 | cif/ Adding structures of 1546038 via cif-deposit CGI script. |
1546038.cif |
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Users of the data should acknowledge the original authors of the
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