Information card for entry 4120908

Structure parameters

• Common name: Thiophene-bridged Gyrotop
• Formula: C46 H86 S Si2
• Calculated formula: C46 H86 S Si2
• SMILES: [Si]123c4sc([Si](CCCCCCCCCCCCCC1)(CCCCCCCCCCCCCC2)CCCCCCCCCCCCCC3)cc4
• Title of publication: Order-Disorder Transition of Dipolar Rotor in a Crystalline Molecular Gyrotop and Its Optical Change
• Authors of publication: Wataru Setaka; Kentaro Yamaguchi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 14560 - 14563
• a: 25.546 ± 0.009 Å
• b: 12.446 ± 0.005 Å
• c: 18.039 ± 0.007 Å
• α: 90°
• β: 122.538 ± 0.004°
• γ: 90°
• Cell volume: 4835 ± 3 ų
• Cell temperature: 270 ± 2 K
• Ambient diffraction temperature: 270 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.3347
• Residual factor for significantly intense reflections: 0.1187
• Weighted residual factors for significantly intense reflections: 0.2792
• Weighted residual factors for all reflections included in the refinement: 0.428
• Goodness-of-fit parameter for all reflections included in the refinement: 0.928
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No