Information card for entry 7103491

Structure parameters

• Formula: C60 H128 O8 Si8
• Calculated formula: C60 H128 O8 Si8
• SMILES: C1[Si]2(O[Si]3(C[Si]4(O[Si]1(O[Si]1(C[Si](O[Si](O3)(C[Si](O2)(O1)CCCCCCC)CCCCCCC)(O4)CCCCCCC)CCCCCCC)CCCCCCC)CCCCCCC)CCCCCCC)CCCCCCC
• Title of publication: A simple route to novel D spherosilicones; the first crystallographic structures of D(6) and D(8) cages.
• Authors of publication: Bassindale, Alan R; Liu, Zhihua; Taylor, Peter G; Horton, Peter N; Hursthouse, Michael B
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 43
• Pages of publication: 5625 - 5627
• a: 17.1468 ± 0.0008 Å
• b: 34.4636 ± 0.0015 Å
• c: 13.262 ± 0.0007 Å
• α: 90°
• β: 111.651 ± 0.002°
• γ: 90°
• Cell volume: 7284.1 ± 0.6 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.162
• Residual factor for significantly intense reflections: 0.0613
• Weighted residual factors for significantly intense reflections: 0.1256
• Weighted residual factors for all reflections included in the refinement: 0.1574
• Goodness-of-fit parameter for all reflections included in the refinement: 0.935
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No