Information card for entry 4068706

Structure parameters

• Formula: C34 H28 N2 O4
• Calculated formula: C34 H28 N2 O4
• SMILES: c1(cc(ccc1/C(=N/c1ccccc1/N=C(c1c(cc(cc1)OC)O)\c1ccccc1)c1ccccc1)OC)O
• 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: 12.5225 ± 0.001 Å
• b: 8.4242 ± 0.0007 Å
• c: 13.9239 ± 0.001 Å
• α: 90°
• β: 112.577 ± 0.003°
• γ: 90°
• Cell volume: 1356.29 ± 0.19 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 4
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.04
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0952
• Weighted residual factors for all reflections included in the refinement: 0.0979
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No