Information card for entry 4063645

Structure parameters

• Formula: C34 H40 Co O6 S
• Calculated formula: C34 H40 Co O6 S
• SMILES: [CH]1(=[C]2([CH]3=[CH](C(=O)OCC)[Co]4567123[cH]1[cH]4[cH]5[cH]6[cH]71)S(=O)(=O)c1ccccc1)C(=O)Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C
• 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: 11.305 ± 0.002 Å
• b: 14.764 ± 0.003 Å
• c: 22.592 ± 0.003 Å
• α: 90°
• β: 97.172 ± 0.013°
• γ: 90°
• Cell volume: 3741.3 ± 1.1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1571
• Residual factor for significantly intense reflections: 0.076
• Weighted residual factors for significantly intense reflections: 0.1731
• Weighted residual factors for all reflections included in the refinement: 0.2134
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No