Information card for entry 7110339

Structure parameters

• Common name: thiophene-bridged_molecular_gyroscope_with_3THF
• Formula: C64 H146 O6 S Si14
• Calculated formula: C63.96 H145.98 O6 S0.99 Si14
• Title of publication: Kinetic stabilization against the oxidation reaction induced by a silaalkane cage in a thiophene-bridged molecular gyroscope
• Authors of publication: Wataru Setak; Soichiro Ohmizu; Mitsuo Kira
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 1098
• a: 26.247 ± 0.004 Å
• b: 26.247 ± 0.004 Å
• c: 22.735 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 13564 ± 5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.1071
• Residual factor for significantly intense reflections: 0.0603
• Weighted residual factors for significantly intense reflections: 0.1391
• Weighted residual factors for all reflections included in the refinement: 0.1666
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No