Information card for entry 2019670

Structure parameters

• Chemical name: 1,3,5,7,9,11,13,15-Octaphenylpentacyclo[9.5.1.1^3,9^.1^5,15^.1^7,13^]octasiloxane
• Formula: C48 H40 O12 Si8
• Calculated formula: C48 H40 O12 Si8
• SMILES: O1[Si]2(O[Si]3(O[Si]4(O[Si]1(O[Si]1(O[Si](O[Si](O[Si](O1)(O4)c1ccccc1)(O3)c1ccccc1)(O2)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1
• Title of publication: The polyoctahedral silsesquioxane (POSS) 1,3,5,7,9,11,13,15-octaphenylpentacyclo[9.5.1.1^3,9^.1^5,15^.1^7,13^]octasiloxane (octaphenyl-POSS)
• Authors of publication: Chinnam, Parameswara Rao; Gau, Michael R.; Schwab, Joseph; Zdilla, Michael J.; Wunder, Stephanie L.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 10
• Pages of publication: 971 - 974
• a: 16.406 ± 0.002 Å
• b: 13.8849 ± 0.0017 Å
• c: 21.57 ± 0.003 Å
• α: 90°
• β: 93.458 ± 0.002°
• γ: 90°
• Cell volume: 4904.6 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0388
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0919
• Weighted residual factors for all reflections included in the refinement: 0.0947
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes