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Information card for entry 4082284
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 4082284.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C29 H24 N O5 P W |
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Calculated formula | C29 H24 N O5 P W |
SMILES | C(#[O])[W](C#[O])(C#[O])(C#[O])(C#[O])[P]1(C(=C1c1ccccc1)c1ccccc1)c1ccc(cc1)N(CC)CC |
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 | 19.1503 ± 0.0006 Å |
b | 16.9853 ± 0.0006 Å |
c | 17.1111 ± 0.0006 Å |
α | 90° |
β | 91.7272 ± 0.0004° |
γ | 90° |
Cell volume | 5563.3 ± 0.3 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 6 |
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 | 0.0143 |
Residual factor for significantly intense reflections | 0.0131 |
Weighted residual factors for significantly intense reflections | 0.0324 |
Weighted residual factors for all reflections included in the refinement | 0.0329 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
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/4082284.html
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Users of the data should acknowledge the original authors of the
structural data.