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Information card for entry 1547569
Preview
Coordinates | 1547569.cif |
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Original paper (by DOI) | HTML |
Formula | C33 H28 P2 S2 |
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Calculated formula | C33 H28 P2 S2 |
SMILES | S=P(c1ccccc1)(c1ccccc1)[C@H]1c2ccccc2C[C@@H]1P(=S)(c1ccccc1)c1ccccc1.S=P(c1ccccc1)(c1ccccc1)[C@@H]1c2ccccc2C[C@H]1P(=S)(c1ccccc1)c1ccccc1 |
Title of publication | vic-Diphosphination of Alkenes with Silylphosphine under Visible-Light-Promoted Photoredox Catalysis. |
Authors of publication | Otomura, Nobutaka; Okugawa, Yuto; Hirano, Koji; Miura, Masahiro |
Journal of publication | Organic letters |
Year of publication | 2017 |
Journal volume | 19 |
Journal issue | 18 |
Pages of publication | 4802 - 4805 |
a | 10.179 ± 0.017 Å |
b | 10.178 ± 0.017 Å |
c | 14.35 ± 0.02 Å |
α | 95.75 ± 0.012° |
β | 95.75 ± 0.02° |
γ | 107.27 ± 0.02° |
Cell volume | 1399 ± 4 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 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 | 0.0663 |
Residual factor for significantly intense reflections | 0.057 |
Weighted residual factors for significantly intense reflections | 0.106 |
Weighted residual factors for all reflections included in the refinement | 0.1099 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.206 |
Diffraction radiation wavelength | 0.71075 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/1547569.html
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