Information card for entry 7050507

Structure parameters

• Formula: C16 H28 O2 S2 Si4
• Calculated formula: C16 H28 O2 S2 Si4
• SMILES: C[Si]1(O[Si](C)(c2ccc(s2)[Si](C)(C)O[Si](c2sc1cc2)(C)C)C)C
• Title of publication: Siloxa-bridged-cyclophanes featuring benzene, thiophene and pyridine units
• Authors of publication: Audrey Moores; Christian Defieber; Nicolas Mézailles; Nicole Maigrot; Louis Ricard; Pascal Le Floch
• Journal of publication: New J. Chem.
• Year of publication: 2003
• Journal volume: 27
• Journal issue: 6
• Pages of publication: 994 - 999
• a: 6.7411 ± 0.0002 Å
• b: 8.2744 ± 0.0002 Å
• c: 11.4404 ± 0.0001 Å
• α: 72.939 ± 0.002°
• β: 72.984 ± 0.002°
• γ: 73.38 ± 0.001°
• Cell volume: 569.18 ± 0.02 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 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: 0.0429
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0893
• Weighted residual factors for all reflections included in the refinement: 0.0967
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No