Information card for entry 7103490

Structure parameters

• Formula: C45 H96 O6 Si6
• Calculated formula: C45 H96 O6 Si6
• SMILES: C1[Si]2(CCCCCCC)O[Si]3(C[Si](CCCCCCC)(O2)O[Si]2(C[Si](CCCCCCC)(O3)O[Si]1(CCCCCCC)O2)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: 11.9106 ± 0.0015 Å
• b: 13.264 ± 0.002 Å
• c: 18.823 ± 0.004 Å
• α: 101.383 ± 0.007°
• β: 93.251 ± 0.007°
• γ: 111.848 ± 0.01°
• Cell volume: 2678.1 ± 0.8 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2799
• Residual factor for significantly intense reflections: 0.1188
• Weighted residual factors for significantly intense reflections: 0.2407
• Weighted residual factors for all reflections included in the refinement: 0.321
• Goodness-of-fit parameter for all reflections included in the refinement: 0.981
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No