Information card for entry 4080386

Structure parameters

• Formula: C40 H52 I4 O8 Si8
• Calculated formula: C40 H52 I4 O8 Si8
• 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: 22.2691 ± 0.0015 Å
• b: 21.9669 ± 0.0008 Å
• c: 11.5215 ± 0.0004 Å
• α: 90°
• β: 96.973 ± 0.007°
• γ: 90°
• Cell volume: 5594.4 ± 0.5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• 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: 0.0627
• Residual factor for significantly intense reflections: 0.0539
• Weighted residual factors for significantly intense reflections: 0.1452
• Weighted residual factors for all reflections included in the refinement: 0.1517
• Goodness-of-fit parameter for all reflections included in the refinement: 1.128
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No