Information card for entry 4079892

Structure parameters

• Common name: ClMeSi(ON[Me]O).2 C6H6
• Chemical name: 2,4,8,10-Tetra-tert-butyl-6-chloro-6,12-dimethyl-12H- dibenzo[d,g][1,3,6,2]dioxazasilocine bisbenzene solvate
• Formula: C42 H58 Cl N O2 Si
• Calculated formula: C42 H58 Cl N O2 Si
• SMILES: [Si]12([N](C)(c3c(O1)c(cc(c3)C(C)(C)C)C(C)(C)C)c1c(O2)c(cc(c1)C(C)(C)C)C(C)(C)C)(Cl)C.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: 9.7339 ± 0.0006 Å
• b: 17.7599 ± 0.0011 Å
• c: 23.0354 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3982.2 ± 0.4 ų
• Cell temperature: 121 ± 2 K
• Ambient diffraction temperature: 121 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0799
• Residual factor for significantly intense reflections: 0.0588
• Weighted residual factors for significantly intense reflections: 0.1547
• Weighted residual factors for all reflections included in the refinement: 0.1635
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No