Information card for entry 4080387

Structure parameters

• Formula: C94 H90 O8 Si8
• Calculated formula: C94 H90 O8 Si8
• SMILES: [Si@]1(O[Si@](O[Si@@](O[Si@](O1)(O[Si](C)(C)C=C)c1ccc(cc1)C#Cc1ccc(cc1)c1ccccc1)(c1ccc(cc1)C#Cc1ccc(cc1)c1ccccc1)O[Si](C)(C)C)(O[Si](C)(C)C)c1ccc(cc1)C#Cc1ccc(cc1)c1ccccc1)(O[Si](C)(C)C=C)c1ccc(cc1)C#Cc1ccc(cc1)c1ccccc1
• Title of publication: Selective Derivatization and Characterization of Bifunctional “Janus-Type” Cyclotetrasiloxanes
• Authors of publication: Panisch, Robin; Bassindale, Alan R.; Korlyukov, Alexander A.; Pitak, Mateusz B.; Coles, Simon J.; Taylor, Peter G.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 6
• Pages of publication: 1732
• a: 68.514 ± 0.006 Å
• b: 68.514 ± 0.006 Å
• c: 10.822 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 43994 ± 7 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 4
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.191
• Residual factor for significantly intense reflections: 0.1019
• Weighted residual factors for significantly intense reflections: 0.2185
• Weighted residual factors for all reflections included in the refinement: 0.2507
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No