Information card for entry 4068707

Structure parameters

• Formula: C27 H22 N2 O3
• Calculated formula: C27 H22 N2 O3
• SMILES: Oc1cc(OC)ccc1C(=N\c1ccccc1/N=C/c1c(O)cccc1)\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: 8.7939 ± 0.0011 Å
• b: 9.7102 ± 0.0012 Å
• c: 13.0745 ± 0.0016 Å
• α: 83.201 ± 0.005°
• β: 71.011 ± 0.005°
• γ: 84.206 ± 0.005°
• Cell volume: 1045.9 ± 0.2 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0606
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1217
• Weighted residual factors for all reflections included in the refinement: 0.1304
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No