Information card for entry 4063644

Structure parameters

• Formula: C40 H42 Co O4 P S Si
• Calculated formula: C40 H42 Co O4 P S Si
• SMILES: C1([Co]2345([C@@H](C=1[Si](C)(C)C)C(=O)OCCC=C)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[cH]1[cH]5[cH]4[cH]3[cH]21)S(=O)(=O)c1ccccc1
• Title of publication: Addition of Dissimilar Carbenes across an Unsymmetrically Substituted Alkyne: Regio- and Stereoselective Synthesis of Trisubstituted 1,3-Dienes
• Authors of publication: O’Connor, Joseph M.; Chen, Ming-Chou; Holland, Ryan L.; Rheingold, Arnold L.
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 3
• Pages of publication: 369
• a: 9.872 ± 0.0003 Å
• b: 16.338 ± 0.0004 Å
• c: 11.957 ± 0.0006 Å
• α: 90°
• β: 109.77 ± 0.003°
• γ: 90°
• Cell volume: 1814.86 ± 0.12 ų
• Cell temperature: 233 ± 2 K
• Ambient diffraction temperature: 233 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0686
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.1102
• Weighted residual factors for all reflections included in the refinement: 0.1384
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No