Information card for entry 4029857

Structure parameters

• Common name: C16MolGyro
• Formula: C54 H100 Si2
• Calculated formula: C54 H100 Si2
• SMILES: [Si]123c4ccc([Si](CCCCCCCCCCCCCCCC1)(CCCCCCCCCCCCCCCC2)CCCCCCCCCCCCCCCC3)cc4
• Title of publication: Synthesis of Crystalline Molecular Gyrotops and Phenylene Rotation inside the Cage.
• Authors of publication: Setaka, Wataru; Inoue, Kazuyuki; Higa, Sayaka; Yoshigai, Seiki; Kono, Hirohiko; Yamaguchi, Kentaro
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2014
• Journal volume: 79
• Journal issue: 17
• Pages of publication: 8288 - 8295
• a: 28.51 ± 0.06 Å
• b: 12.34 ± 0.02 Å
• c: 17.98 ± 0.04 Å
• α: 90°
• β: 121.13 ± 0.02°
• γ: 90°
• Cell volume: 5415 ± 19 ų
• Cell temperature: 270 ± 2 K
• Ambient diffraction temperature: 270 ± 2 K
• Number of distinct elements: 3
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.3938
• Residual factor for significantly intense reflections: 0.1216
• Weighted residual factors for significantly intense reflections: 0.3025
• Weighted residual factors for all reflections included in the refinement: 0.4879
• 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