Information card for entry 4331195

Structure parameters

• Formula: C40 H37 N5 O2
• Calculated formula: C40 H37 N5 O2
• SMILES: O([C@@H]1c2nc(N=C3NC(=Nc4nc5c(c(c4)C)CC[C@@H]5OC)c4c3cc(c(c4)c3ccccc3)c3ccccc3)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: 15.171 ± 0.007 Å
• b: 7.052 ± 0.003 Å
• c: 16.168 ± 0.007 Å
• α: 90°
• β: 113.144 ± 0.007°
• γ: 90°
• Cell volume: 1590.5 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0453
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.1091
• Weighted residual factors for all reflections included in the refinement: 0.1128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No