Information card for entry 4068708

Structure parameters

• Formula: C40 H31 Cl3 N2 O3 Si
• Calculated formula: C40 H31 Cl3 N2 O3 Si
• SMILES: [Si]123([N](=Cc4c(O2)cccc4)c2ccccc2[N]1=C(c1ccc(OC)cc1O3)c1ccccc1)(c1ccccc1)c1ccccc1.C(Cl)(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: 10.8202 ± 0.0011 Å
• b: 25.228 ± 0.002 Å
• c: 13.0459 ± 0.0012 Å
• α: 90°
• β: 104.665 ± 0.006°
• γ: 90°
• Cell volume: 3445.2 ± 0.6 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1055
• Residual factor for significantly intense reflections: 0.0566
• Weighted residual factors for significantly intense reflections: 0.1494
• Weighted residual factors for all reflections included in the refinement: 0.17
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No