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Information card for entry 7027981
Preview
Coordinates | 7027981.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C26 H21 P |
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Calculated formula | C26 H21 P |
SMILES | C(=C\c1ccccc1)(/c1ccccc1)P(c1ccccc1)c1ccccc1 |
Title of publication | Stereoselective addition of diphenylphosphine to substituted diphenylethynes: synthetic, NMR and X-ray crystallographic studies |
Authors of publication | Bookham, Jonathan L.; Smithies, Darren M.; Wright, Anna; Thornton-Pett, Mark; McFarlane, William |
Journal of publication | Journal of the Chemical Society, Dalton Transactions |
Year of publication | 1998 |
Journal issue | 5 |
Pages of publication | 811 |
a | 22.2502 ± 0.001 Å |
b | 11.8137 ± 0.0005 Å |
c | 18.7963 ± 0.0007 Å |
α | 90° |
β | 127.833 ± 0.003° |
γ | 90° |
Cell volume | 3902.2 ± 0.3 Å3 |
Cell temperature | 140 ± 2 K |
Ambient diffraction temperature | 140 ± 2 K |
Number of distinct elements | 3 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0343 |
Residual factor for significantly intense reflections | 0.0334 |
Weighted residual factors for significantly intense reflections | 0.0814 |
Weighted residual factors for all reflections included in the refinement | 0.0822 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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