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Information card for entry 7107990
Preview
Coordinates | 7107990.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C30 H33 As O10 P2 W2 |
---|---|
Calculated formula | C30 H33 As O10 P2 W2 |
SMILES | [W]([P@@H]1[As]([P@H]([W](C#[O])(C#[O])(C#[O])(C#[O])C#[O])C2(C(=C(C(=C2C)C)C)C)C)[C@]2([C@@H]([C@@]1(C(=C2C)C)C)C)C)(C#[O])(C#[O])(C#[O])(C#[O])C#[O].[W]([P@H]1[As]([P@@H]([W](C#[O])(C#[O])(C#[O])(C#[O])C#[O])C2(C(=C(C(=C2C)C)C)C)C)[C@@]2([C@H]([C@]1(C(=C2C)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 | 9.8692 ± 0.0005 Å |
b | 12.9844 ± 0.0006 Å |
c | 15.2994 ± 0.0006 Å |
α | 80.608 ± 0.004° |
β | 72.49 ± 0.004° |
γ | 69.895 ± 0.004° |
Cell volume | 1751.86 ± 0.15 Å3 |
Cell temperature | 123 ± 1 K |
Ambient diffraction temperature | 123 ± 1 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 | 0.0269 |
Residual factor for significantly intense reflections | 0.0243 |
Weighted residual factors for significantly intense reflections | 0.0611 |
Weighted residual factors for all reflections included in the refinement | 0.0631 |
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/7107990.html
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Users of the data should acknowledge the original authors of the
structural data.