Information card for entry 4123427

Structure parameters

• Formula: C30 H27 N O2
• Calculated formula: C30 H27 N O2
• SMILES: C(=N\c1ccc(cc1)OC)(C)/c1ccc(cc1\C(=C/c1ccccc1)c1ccccc1)OC
• 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: 8.8899 ± 0.0004 Å
• b: 10.429 ± 0.0004 Å
• c: 13.6311 ± 0.0006 Å
• α: 93.185 ± 0.002°
• β: 95.814 ± 0.002°
• γ: 110.902 ± 0.002°
• Cell volume: 1168.81 ± 0.09 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 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: 0.0399
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for all reflections: 0.0839
• Weighted residual factors for significantly intense reflections: 0.0835
• Weighted residual factors for all reflections included in the refinement: 0.0837
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9998
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No