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Information card for entry 4082285
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 4082285.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C23 H13 O5 P S W |
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Calculated formula | C23 H13 O5 P S W |
SMILES | C(#[O])[W](C#[O])(C#[O])(C#[O])(C#[O])[P]1(c2cccs2)C(=C1c1ccccc1)c1ccccc1 |
Title of publication | Electrophilic Aromatic Substitution Reactions of a Tungsten-Coordinated Phosphirenyl Triflate |
Authors of publication | Jayaraman, Arumugam; Sterenberg, Brian T. |
Journal of publication | Organometallics |
Year of publication | 2014 |
Journal volume | 33 |
Journal issue | 2 |
Pages of publication | 522 |
a | 12.343 ± 0.0009 Å |
b | 13.5366 ± 0.001 Å |
c | 15.8869 ± 0.0011 Å |
α | 106.562 ± 0.001° |
β | 112.847 ± 0.001° |
γ | 95.914 ± 0.001° |
Cell volume | 2275 ± 0.3 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.025 |
Residual factor for significantly intense reflections | 0.0221 |
Weighted residual factors for significantly intense reflections | 0.0522 |
Weighted residual factors for all reflections included in the refinement | 0.0533 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
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.
The link is: https://www.crystallography.net/4082285.html
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Users of the data should acknowledge the original authors of the
structural data.