Information card for entry 4064433

Structure parameters

• Chemical name: E-1,1,4,4-Tetrakis[bis(trimethylsilyl)methyl]-1,4-isopropyl- 2-(catecoholboryl)-2-disilene
• Formula: C40 H95 B O2 Si12
• Calculated formula: C40 H95 B O2 Si12
• SMILES: [Si](=[SiH][Si](C([Si](C)(C)C)[Si](C)(C)C)(C([Si](C)(C)C)[Si](C)(C)C)C(C)C)([Si](C([Si](C)(C)C)[Si](C)(C)C)(C([Si](C)(C)C)[Si](C)(C)C)C(C)C)B1Oc2c(O1)cccc2
• Title of publication: Hydroboration of Disilyne RSi≡SiR (R = SiiPr[CH(SiMe3)2]2), Giving Boryl-Substituted Disilenes
• Authors of publication: Takeuchi, Katsuhiko; Ichinohe, Masaaki; Sekiguchi, Akira
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 7
• Pages of publication: 2044
• a: 10.4283 ± 0.0006 Å
• b: 15.1729 ± 0.0009 Å
• c: 19.7512 ± 0.0011 Å
• α: 101.039 ± 0.001°
• β: 90.527 ± 0.001°
• γ: 108.318 ± 0.001°
• Cell volume: 2903.8 ± 0.3 ų
• Cell temperature: 120 ± 0.1 K
• Ambient diffraction temperature: 120 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1104
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.1114
• Weighted residual factors for all reflections included in the refinement: 0.1436
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No