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Information card for entry 4072069
Preview
Coordinates | 4072069.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C22 H28 O6 S W |
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Calculated formula | C22 H28 O6 S W |
SMILES | [W]([S]=C1C(=C(C(=C(O1)CCC)CCC)CCC)CCC)(C#[O])(C#[O])(C#[O])(C#[O])C#[O] |
Title of publication | Pyranylidene Carbene Complexes from 1-Lithio 1,3-Dienes and M(CO)6(M = Cr, Mo, W): Novel Synthesis and Demetalation Reaction |
Authors of publication | Wang, Qifeng; Zhang, Wen-Xiong; Xi, Zhenfeng |
Journal of publication | Organometallics |
Year of publication | 2008 |
Journal volume | 27 |
Journal issue | 15 |
Pages of publication | 3627 |
a | 10.667 ± 0.002 Å |
b | 11.59 ± 0.002 Å |
c | 11.644 ± 0.002 Å |
α | 83.7 ± 0.03° |
β | 66.19 ± 0.03° |
γ | 72.92 ± 0.03° |
Cell volume | 1258.9 ± 0.5 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 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 | 0.063 |
Residual factor for significantly intense reflections | 0.0468 |
Weighted residual factors for significantly intense reflections | 0.0801 |
Weighted residual factors for all reflections included in the refinement | 0.0842 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.095 |
Diffraction radiation wavelength | 0.71069 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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