Information card for entry 4123423

Structure parameters

• Formula: C33 H33 N O
• Calculated formula: C33 H33 N O
• SMILES: C(=N\c1ccc(cc1)OC)(\C)c1ccc(cc1C(=C\c1ccccc1)/c1ccccc1)C(C)(C)C
• 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: 16.1203 ± 0.0006 Å
• b: 22.1653 ± 0.0008 Å
• c: 7.4539 ± 0.0002 Å
• α: 90°
• β: 99.215 ± 0.002°
• γ: 90°
• Cell volume: 2628.99 ± 0.15 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0903
• Residual factor for significantly intense reflections: 0.0721
• Weighted residual factors for all reflections: 0.2136
• Weighted residual factors for significantly intense reflections: 0.1919
• Weighted residual factors for all reflections included in the refinement: 0.2124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0559
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No