Information card for entry 4126555

Structure parameters

• Formula: C43 H43 Co N3 O11
• Calculated formula: C43 H43 Co N3 O11
• SMILES: [Co]1234([O]=C(OC4C(=O)OCC)c4ccc(cc4)OC)[n]4c5cccc4C[NH]1Cc1cccc(c31)C[NH]2C5.O=C(c1ccc(OC)cc1)[O-].[O-]C(=O)c1ccc(OC)cc1
• Title of publication: Carboxylate-Assisted Formation of Aryl-Co(III) Masked-Carbenes in Cobalt-Catalyzed C-H Functionalization with Diazo Esters.
• Authors of publication: Planas, Oriol; Roldán-Gómez, Steven; Martin-Diaconescu, Vlad; Parella, Teodor; Luis, Josep M.; Company, Anna; Ribas, Xavi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• a: 11.44 ± 0.008 Å
• b: 14.002 ± 0.009 Å
• c: 14.246 ± 0.01 Å
• α: 87.644 ± 0.014°
• β: 83.554 ± 0.012°
• γ: 71.092 ± 0.01°
• Cell volume: 2145 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.3036
• Residual factor for significantly intense reflections: 0.1323
• Weighted residual factors for significantly intense reflections: 0.351
• Weighted residual factors for all reflections included in the refinement: 0.4425
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No