Information card for entry 4079893

Structure parameters

• Common name: ClPhSi(ON[Me]O)
• Chemical name: 2,4,8,10-tetra-tert-butyl-6-chloro-12-methyl-6-phenyl-12H- dibenzo[d,g][1,3,6,2]dioxazasilocine
• Formula: C35 H48 Cl N O2 Si
• Calculated formula: C35 H48 Cl N O2 Si
• SMILES: [Si]1(Cl)(Oc2c(N(C)c3c(O1)c(cc(c3)C(C)(C)C)C(C)(C)C)cc(cc2C(C)(C)C)C(C)(C)C)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: 10.7842 ± 0.001 Å
• b: 10.7966 ± 0.0009 Å
• c: 14.8554 ± 0.0013 Å
• α: 74.145 ± 0.002°
• β: 79.789 ± 0.002°
• γ: 76.926 ± 0.002°
• Cell volume: 1608.4 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0737
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.0957
• Weighted residual factors for all reflections included in the refinement: 0.1088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No