Information card for entry 4331194

Structure parameters

• Formula: C40 H53 N5 O2
• Calculated formula: C40 H53 N5 O2
• SMILES: O([C@H]1c2nc(N=C3NC(=Nc4nc5c(c(c4)C)CC[C@H]5OC)c4c3cc(c(c4)CCCCCC)CCCCCC)cc(c2CC1)C)C
• Title of publication: Cobalt Alkyl Complexes of a New Family of Chiral 1,3-Bis(2-pyridylimino)isoindolates and Their Application in Asymmetric Hydrosilylation
• Authors of publication: Désirée C. Sauer; Hubert Wadepohl; Lutz H. Gade
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 12948 - 12958
• a: 8.265 ± 0.004 Å
• b: 12.523 ± 0.007 Å
• c: 18.64 ± 0.009 Å
• α: 95.869 ± 0.009°
• β: 99.529 ± 0.008°
• γ: 107.303 ± 0.013°
• Cell volume: 1792.9 ± 1.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0569
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.1129
• Weighted residual factors for all reflections included in the refinement: 0.1208
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No