Information card for entry 4123425

Structure parameters

• Formula: C30 H24 N2 O
• Calculated formula: C30 H24 N2 O
• SMILES: O(c1ccc(/N=C(/c2c(c(ccc2)C#N)C(=C\c2ccccc2)/c2ccccc2)C)cc1)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: 9.3127 ± 0.0003 Å
• b: 9.9133 ± 0.0003 Å
• c: 13.4051 ± 0.0003 Å
• α: 78.804 ± 0.002°
• β: 81.019 ± 0.002°
• γ: 72.871 ± 0.002°
• Cell volume: 1153.68 ± 0.06 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: 0.0638
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.1227
• Weighted residual factors for all reflections included in the refinement: 0.1359
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No