Information card for entry 7153752

Structure parameters

• Common name: MolGyroIsomer
• Formula: C60 H112 Si2
• Calculated formula: C60 H112 Si2
• SMILES: [Si]12(c3ccc([Si]4(CCCCCCCCCCCCCCCCCC4)CCCCCCCCCCCCCCCCCC2)cc3)CCCCCCCCCCCCCCCCCC1
• Title of publication: Ring-closing metathesis for the synthesis of a molecular gyrotop.
• Authors of publication: Setaka, Wataru; Higa, Sayaka; Yamaguchi, Kentaro
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2014
• Journal volume: 12
• Journal issue: 21
• Pages of publication: 3354 - 3357
• a: 14.53 ± 0.003 Å
• b: 18.768 ± 0.003 Å
• c: 21.753 ± 0.004 Å
• α: 95.313 ± 0.002°
• β: 90.751 ± 0.003°
• γ: 92.942 ± 0.002°
• Cell volume: 5897.8 ± 1.9 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.237
• Residual factor for significantly intense reflections: 0.0877
• Weighted residual factors for significantly intense reflections: 0.1959
• Weighted residual factors for all reflections included in the refinement: 0.2645
• Goodness-of-fit parameter for all reflections included in the refinement: 0.957
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No