Information card for entry 2206135

Structure parameters

• Chemical name: syn-exo-4,7-Bis(trimethylsilyl)-4,7-dihydro[2.2]paracyclophane
• Formula: C22 H34 Si2
• Calculated formula: C22 H34 Si2
• SMILES: [Si]([C@H]1C2CCc3ccc(CCC(=C1)[C@H]([Si](C)(C)C)C=2)cc3)(C)(C)C.[Si]([C@@H]1C2CCc3ccc(CCC(=C1)[C@@H]([Si](C)(C)C)C=2)cc3)(C)(C)C
• Title of publication: <i>syn</i>-<i>exo</i>-4,7-Bis(trimethylsilyl)-4,7-dihydro[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: o2175 - o2176
• a: 10.485 ± 0.004 Å
• b: 33.972 ± 0.008 Å
• c: 12.544 ± 0.004 Å
• α: 90°
• β: 102.12 ± 0.03°
• γ: 90°
• Cell volume: 4369 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1304
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for significantly intense reflections: 0.1225
• Weighted residual factors for all reflections included in the refinement: 0.1642
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes