Information card for entry 4021904

Structure parameters

• Formula: C26 H34 Cr O5 Si
• Calculated formula: C26 H34 Cr O5 Si
• SMILES: [Cr]12345([cH]6[cH]1[cH]2[cH]3[cH]4[c]56/C(=C(OC)/C1CC1)C([Si](C(C)C)(C(C)C)C(C)C)=C=O)(C#[O])(C#[O])C#[O]
• Title of publication: Stereoselective [4 + 1] Annulation Reactions with Silyl Vinylketenes Derived from Fischer Carbene Complexes
• Authors of publication: William H. Moser; Laura A. Feltes; Liangdong Sun; Matthew W. Giese; Ryan W. Farrell
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2006
• Journal volume: 71
• Pages of publication: 6542 - 6546
• a: 32.441 ± 0.001 Å
• b: 15.9505 ± 0.0005 Å
• c: 9.9787 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5163.5 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0345
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for significantly intense reflections: 0.0717
• Weighted residual factors for all reflections included in the refinement: 0.075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No