Information card for entry 4068714

Structure parameters

• Formula: C34 H25 N3 O3 Si
• Calculated formula: C34 H25 N3 O3 Si
• SMILES: [Si@]123(Oc4ccccc4[C@H](N2c2ccccc2[N]3=C(c2c(O1)cc(OC)cc2)c1ccccc1)C#N)c1ccccc1.[Si@@]123(Oc4ccccc4[C@@H](N2c2ccccc2[N]3=C(c2c(O1)cc(OC)cc2)c1ccccc1)C#N)c1ccccc1
• 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: 13.0425 ± 0.0007 Å
• b: 10.0955 ± 0.0005 Å
• c: 20.613 ± 0.0011 Å
• α: 90°
• β: 95.221 ± 0.002°
• γ: 90°
• Cell volume: 2702.9 ± 0.2 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0752
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.0963
• Weighted residual factors for all reflections included in the refinement: 0.1057
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No