Information card for entry 1556547

Structure parameters

• Common name: 1,3,5,7,9,11-hexacyclopentyltetracyclo(5.5.1.1^3,11^.1^5,9^)hexasiloxane
• Chemical name: 1,3,5,7,9,11-hexacyclopentyltetracyclo(5.5.1.1^3,11^.1^5,9^)hexasiloxane
• Formula: C30 H54 O9 Si6
• Calculated formula: C30 H54 O9 Si6
• SMILES: O1[Si]2(O[Si]3(O[Si]1(C1CCCC1)O[Si]1(O[Si](O2)(O[Si](O3)(O1)C1CCCC1)C1CCCC1)C1CCCC1)C1CCCC1)C1CCCC1
• Title of publication: Preparation and Molecular Structure of a Cyclopentyl-Substituted Cage Hexasilsesquioxane T6 (T = cyclopentyl-SiO1.5) Starting from the Corresponding Silanetriol
• Authors of publication: Kahr, J.; Belaj, F.; Pietschnig, R.
• Journal of publication: Inorganics
• Year of publication: 2017
• Journal volume: 5
• Pages of publication: 66
• a: 16.2855 ± 0.0008 Å
• b: 22.346 ± 0.0011 Å
• c: 19.6563 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7153.2 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 68
• Hermann-Mauguin space group symbol: C c c a :2
• Hall space group symbol: -C 2a 2ac
• Residual factor for all reflections: 0.0533
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0994
• Weighted residual factors for all reflections included in the refinement: 0.1049
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No