Information card for entry 2206136

Structure parameters

• Chemical name: syn-exo-4,7,12,15-Tetrakis(trimethylsilyl)-4,7,12,15- tetrahydro[2.2]paracyclophane
• Formula: C28 H52 Si4
• Calculated formula: C28 H52 Si4
• SMILES: C1C2[C@@H]([Si](C)(C)C)C=C(CCC3[C@@H]([Si](C)(C)C)C=C(C1)[C@H](C=3)[Si](C)(C)C)[C@H](C=2)[Si](C)(C)C
• Title of publication: <i>syn</i>-<i>exo</i>-4,7,12,15-Tetrakis(trimethylsilyl)-4,7,12,15-tetrahydro[2.2]paracyclophane
• Authors of publication: Jones, Peter G.; Bubenitschek, Peter; Hopf, Henning; Savinsky, Rainer
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 7
• Pages of publication: o2177 - o2178
• a: 13.906 ± 0.004 Å
• b: 13.906 ± 0.004 Å
• c: 16.263 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3144.9 ± 1.6 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 3
• Space group number: 98
• Hermann-Mauguin space group symbol: I 41 2 2
• Hall space group symbol: I 4bw 2bw
• Residual factor for all reflections: 0.0489
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.1065
• Weighted residual factors for all reflections included in the refinement: 0.1142
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes