Information card for entry 4080521

Structure parameters

• Chemical name: 1,2,3,3-Tetrakis(di-tert-butylmethylsilyl)-4-[N-(2,6-dimethylphenyl)imino]- 1,2,3-trisilacyclobutene
• Formula: C45 H93 N Si7
• Calculated formula: C45 H93 N Si7
• SMILES: [Si]1(=[Si]([Si]([Si](C)(C(C)(C)C)C(C)(C)C)([Si](C)(C(C)(C)C)C(C)(C)C)C\1=N\c1c(cccc1C)C)[Si](C)(C(C)(C)C)C(C)(C)C)[Si](C)(C(C)(C)C)C(C)(C)C
• Title of publication: Functionalized Cyclic Disilenes via Ring Expansion of Cyclotrisilenes with Isocyanides
• Authors of publication: Ohmori, Yu; Ichinohe, Masaaki; Sekiguchi, Akira; Cowley, Michael J.; Huch, Volker; Scheschkewitz, David
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 6
• Pages of publication: 1591
• a: 20.0059 ± 0.0006 Å
• b: 14.7795 ± 0.0005 Å
• c: 20.1475 ± 0.0006 Å
• α: 90°
• β: 115.714 ± 0.001°
• γ: 90°
• Cell volume: 5367.2 ± 0.3 ų
• Cell temperature: 120 ± 1 K
• Ambient diffraction temperature: 120 ± 1 K
• Number of distinct elements: 4
• 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: 0.0532
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.1048
• Weighted residual factors for all reflections included in the refinement: 0.1122
• Goodness-of-fit parameter for all reflections included in the refinement: 0.98
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No