Information card for entry 4123428

Structure parameters

• Formula: C29 H24 F N O
• Calculated formula: C29 H24 F N O
• SMILES: Fc1c(c(ccc1)/C(=N/c1ccc(OC)cc1)C)C(=C\c1ccccc1)/c1ccccc1
• 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: 9.2154 ± 0.0002 Å
• b: 10.0505 ± 0.0002 Å
• c: 13.3037 ± 0.0003 Å
• α: 80.098 ± 0.002°
• β: 81.359 ± 0.002°
• γ: 70.915 ± 0.002°
• Cell volume: 1141.24 ± 0.04 ų
• Cell temperature: 200 ± 1 K
• Ambient diffraction temperature: 200 ± 1 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: 0.0595
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.1358
• Weighted residual factors for all reflections included in the refinement: 0.1535
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No