Information card for entry 4068709

Structure parameters

• Formula: C40 H31 Cl3 N2 O3 Si
• Calculated formula: C40 H31 Cl3 N2 O3 Si
• SMILES: [Si@]123(N([C@H](c4c(O2)cccc4)c2ccccc2)c2ccccc2[N]1=C(c1c(O3)cc(OC)cc1)c1ccccc1)c1ccccc1.ClC(Cl)Cl.[Si@@]123(N([C@@H](c4c(O2)cccc4)c2ccccc2)c2ccccc2[N]1=C(c1c(O3)cc(OC)cc1)c1ccccc1)c1ccccc1.ClC(Cl)Cl
• Title of publication: Hypercoordinate Organosilicon Complexes of an ONN′O′ Chelating Ligand: Regio- and Diastereoselectivity of Rearrangement Reactions in Si−Salphen Systems
• Authors of publication: Lippe, Katrin; Gerlach, Daniela; Kroke, Edwin; Wagler, Jörg
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 2
• Pages of publication: 621
• a: 10.984 ± 0.0006 Å
• b: 13.4905 ± 0.0003 Å
• c: 13.6978 ± 0.0003 Å
• α: 119.198 ± 0.001°
• β: 98.988 ± 0.002°
• γ: 98.715 ± 0.002°
• Cell volume: 1687.93 ± 0.11 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0579
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.1246
• Weighted residual factors for all reflections included in the refinement: 0.1308
• Goodness-of-fit parameter for all reflections included in the refinement: 1.334
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No