Information card for entry 4123426

Structure parameters

• Formula: C29 H25 N O
• Calculated formula: C29 H25 N O
• SMILES: O(C)c1ccc(/N=C(\C)c2ccccc2/C(=C\c2ccccc2)c2ccccc2)cc1
• Title of publication: C-h activation/functionalization catalyzed by simple, well-defined low-valent cobalt complexes.
• Authors of publication: Fallon, Brendan J.; Derat, Etienne; Amatore, Muriel; Aubert, Corinne; Chemla, Fabrice; Ferreira, Franck; Perez-Luna, Alejandro; Petit, Marc
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 7
• Pages of publication: 2448 - 2451
• a: 7.8807 ± 0.0001 Å
• b: 12.0321 ± 0.0002 Å
• c: 13.5012 ± 0.0002 Å
• α: 65.898 ± 0.001°
• β: 76.679 ± 0.001°
• γ: 87.044 ± 0.001°
• Cell volume: 1135.85 ± 0.03 ų
• Cell temperature: 200 ± 1 K
• Ambient diffraction temperature: 200 ± 1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0415
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.0992
• Weighted residual factors for all reflections included in the refinement: 0.1019
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No