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Information card for entry 4068670
Preview
Coordinates | 4068670.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | pentacarbonyl(4-bis(trimethylsilyl)methyl-2,5-diphenyl- 1,3,4-oxazaphosphol-2-ene |
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Formula | C26 H30 N O6 P Si2 W |
Calculated formula | C26 H30 N O6 P Si2 W |
SMILES | [W](C#[O])(C#[O])(C#[O])(C#[O])(C#[O])[P]1(C(c2ccccc2)OC(=N1)c1ccccc1)C([Si](C)(C)C)[Si](C)(C)C |
Title of publication | First Brønsted Acid-Induced Ring Expansion of an Oxaphosphirane Complex: A Combined Experimental and DFT Study |
Authors of publication | Helten, Holger; Pérez, Janaina Marinas; Daniels, Jörg; Streubel, Rainer |
Journal of publication | Organometallics |
Year of publication | 2009 |
Journal volume | 28 |
Journal issue | 4 |
Pages of publication | 1221 |
a | 15.3301 ± 0.0005 Å |
b | 11.3528 ± 0.0002 Å |
c | 17.62 ± 0.0005 Å |
α | 90° |
β | 109.483 ± 0.001° |
γ | 90° |
Cell volume | 2890.99 ± 0.14 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 7 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.035 |
Residual factor for significantly intense reflections | 0.0284 |
Weighted residual factors for significantly intense reflections | 0.0627 |
Weighted residual factors for all reflections included in the refinement | 0.0647 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.99 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
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