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Information card for entry 4080591
Preview
Coordinates | 4080591.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C27 H23 O6 P W |
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Calculated formula | C27 H23 O6 P W |
SMILES | [W]([P@]1(C=C(C)C2=C1[C@@H]([C@H](CC2)c1ccccc1)OC)c1ccccc1)(C#[O])(C#[O])(C#[O])(C#[O])C#[O].[W]([P@@]1(C=C(C)C2=C1[C@H]([C@@H](CC2)c1ccccc1)OC)c1ccccc1)(C#[O])(C#[O])(C#[O])(C#[O])C#[O] |
Title of publication | The Original Reactivity of a Phosphole-Substituted Fischer Carbene Complex |
Authors of publication | Ng, Kim Hong; Li, Yongxin; Ganguly, Rakesh; Mathey, Francois |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 8 |
Pages of publication | 2287 |
a | 12.4421 ± 0.0003 Å |
b | 15.0036 ± 0.0004 Å |
c | 14.0515 ± 0.0004 Å |
α | 90° |
β | 99.835 ± 0.001° |
γ | 90° |
Cell volume | 2584.53 ± 0.12 Å3 |
Cell temperature | 103 ± 2 K |
Ambient diffraction temperature | 103 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0274 |
Residual factor for significantly intense reflections | 0.0206 |
Weighted residual factors for significantly intense reflections | 0.0418 |
Weighted residual factors for all reflections included in the refinement | 0.0437 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
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/4080591.html
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Users of the data should acknowledge the original authors of the
structural data.