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Information card for entry 7107991
Preview
Coordinates | 7107991.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C20 H17 O10 P3 W2 |
---|---|
Calculated formula | C20 H17 O10 P3 W2 |
SMILES | [W]([P@H]1[P@@]2([W](C#[O])(C#[O])(C#[O])(C#[O])C#[O])P[C@]3([C@@]1(C(=C([C@@]23C)C)C)C)C)(C#[O])(C#[O])(C#[O])(C#[O])C#[O].[W]([P@@H]1[P@]2([W](C#[O])(C#[O])(C#[O])(C#[O])C#[O])P[C@@]3([C@]1(C(=C([C@]23C)C)C)C)C)(C#[O])(C#[O])(C#[O])(C#[O])C#[O] |
Title of publication | Stepwise activation of 'non-innocent' Cp* substituents ‒ a Cp* based cascade reaction |
Authors of publication | Markus Stubenhofer; Giuliano Lassandro; Gabor Balazs; Alexey Y. Timoshkin; Manfred Scheer |
Journal of publication | Chem.Commun. |
Year of publication | 2012 |
Journal volume | 48 |
Journal issue | 58 |
Pages of publication | 7262 - 7264 |
a | 9.4184 ± 0.0005 Å |
b | 10.4395 ± 0.0005 Å |
c | 15.6135 ± 0.0008 Å |
α | 71.461 ± 0.005° |
β | 89.764 ± 0.004° |
γ | 64.716 ± 0.005° |
Cell volume | 1300.46 ± 0.14 Å3 |
Cell temperature | 123 ± 1 K |
Ambient diffraction temperature | 123 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0556 |
Residual factor for significantly intense reflections | 0.0457 |
Weighted residual factors for significantly intense reflections | 0.1179 |
Weighted residual factors for all reflections included in the refinement | 0.1263 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54178 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/7107991.html
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Users of the data should acknowledge the original authors of the
structural data.