Information card for entry 4021906

Structure parameters

• Formula: C37 H42 Cr O6 Si
• Calculated formula: C37 H42 Cr O6 Si
• SMILES: [Cr]12345([c]6(C7=C([Si](C(C)C)(C(C)C)C(C)C)C(=O)[C@@H]([C@]7(OC)c7ccc(OC)cc7)c7ccccc7)[cH]1[cH]2[cH]3[cH]4[cH]56)(C#[O])(C#[O])C#[O].[Cr]12345([c]6(C7=C([Si](C(C)C)(C(C)C)C(C)C)C(=O)[C@H]([C@@]7(OC)c7ccc(OC)cc7)c7ccccc7)[cH]1[cH]2[cH]3[cH]4[cH]56)(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: 17.5783 ± 0.0016 Å
• b: 18.3011 ± 0.0018 Å
• c: 21.379 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6877.5 ± 1.2 ų
• Cell temperature: 83 ± 3 K
• Ambient diffraction temperature: 83 ± 3 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0594
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.109
• Weighted residual factors for all reflections included in the refinement: 0.1189
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No