Information card for entry 4079895

Structure parameters

• Common name: Ph2Si(ON[Ph]O)
• Chemical name: 2,4,8,12-Tetra-tert-butyl-6,6,12-triphenyl-12H- dibenzo[d,g][1,3,6,2]dioxazasilocine
• Formula: C46 H55 N O2 Si
• Calculated formula: C46 H55 N O2 Si
• SMILES: [Si]12([N](c3c(c(cc(c3)C(C)(C)C)C(C)(C)C)O1)(c1c(c(cc(c1)C(C)(C)C)C(C)(C)C)O2)c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Migrations of Alkyl and Aryl Groups from Silicon to Nitrogen in Silylated Aryloxyiminoquinones
• Authors of publication: Shekar, Sukesh; Brown, Seth N.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 2
• Pages of publication: 556
• a: 23.8378 ± 0.0017 Å
• b: 13.5671 ± 0.001 Å
• c: 27.1044 ± 0.0019 Å
• α: 90°
• β: 114.196 ± 0.0013°
• γ: 90°
• Cell volume: 7995.7 ± 1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0599
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.0986
• Weighted residual factors for all reflections included in the refinement: 0.1113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No