Information card for entry 7111171

Structure parameters

• Chemical name: 1,2,2,5-tetrakis[di-tert-butyl(methyl)silyl]-4,7-diphenyl- 1,2,5-trisilabicyclo[4.2.0]hepta-3,6-diene
• Formula: C52 H96 Si7
• Calculated formula: C52 H96 Si7
• SMILES: [Si]1([Si@]2([Si@@]([Si](C)(C(C)(C)C)C(C)(C)C)(C(=C1)c1ccccc1)C=C2c1ccccc1)[Si](C)(C(C)(C)C)C(C)(C)C)([Si](C)(C(C)(C)C)C(C)(C)C)[Si](C)(C(C)(C)C)C(C)(C)C.[Si]1([Si@@]2([Si@]([Si](C)(C(C)(C)C)C(C)(C)C)(C(=C1)c1ccccc1)C=C2c1ccccc1)[Si](C)(C(C)(C)C)C(C)(C)C)([Si](C)(C(C)(C)C)C(C)(C)C)[Si](C)(C(C)(C)C)C(C)(C)C
• Title of publication: Reaction of cyclotrisilene with phenylacetylene: an unusual product with a bicyclo[3.2.0]hepta-3,6-diene skeleton
• Authors of publication: Ichinohe, Masaaki; Matsuno, Tadahiro; Sekiguchi, Akira
• Journal of publication: Chemical Communications
• Year of publication: 2001
• Journal issue: 2
• Pages of publication: 183
• a: 13.738 ± 0.0008 Å
• b: 14.625 ± 0.0009 Å
• c: 15.751 ± 0.001 Å
• α: 99.765 ± 0.003°
• β: 114.847 ± 0.003°
• γ: 92.241 ± 0.003°
• Cell volume: 2808.5 ± 0.3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0843
• Residual factor for significantly intense reflections: 0.0705
• Weighted residual factors for significantly intense reflections: 0.1851
• Weighted residual factors for all reflections included in the refinement: 0.2015
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No