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Information card for entry 4036203
Preview
Coordinates | 4036203.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C21 H34 B O P |
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Calculated formula | C21 H34 B O P |
SMILES | [P@](OC12CC3CC(CC(C1)C3)C2)(Cc1ccccc1)(C(C)(C)C)[BH3] |
Title of publication | H-adamantylphosphinates as universal precursors of P-stereogenic compounds. |
Authors of publication | Gatineau, David; Nguyen, Duc Hanh; Hérault, Damien; Vanthuyne, Nicolas; Leclaire, Julien; Giordano, Laurent; Buono, Gérard |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2015 |
Journal volume | 80 |
Journal issue | 8 |
Pages of publication | 4132 - 4141 |
a | 11.28023 ± 0.00018 Å |
b | 6.62379 ± 0.00009 Å |
c | 13.9299 ± 0.0002 Å |
α | 90° |
β | 100.736 ± 0.0015° |
γ | 90° |
Cell volume | 1022.59 ± 0.03 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0301 |
Residual factor for significantly intense reflections | 0.0295 |
Weighted residual factors for significantly intense reflections | 0.0789 |
Weighted residual factors for all reflections included in the refinement | 0.0795 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4036203.html
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