Information card for entry 1508833

Structure parameters

• Formula: C56 H120 O12 Si8
• Calculated formula: C56 H120 O12 Si8
• SMILES: [Si]12(O[Si]3(O[Si]4(O[Si](O2)(O[Si]2(O[Si](O4)(O[Si](O3)(O[Si](O1)(O2)CCCCCCC)CCCCCCC)CCCCCCC)CCCCCCC)CCCCCCC)CCCCCCC)CCCCCCC)CCCCCCC
• Title of publication: X-ray Crystal Structures, Packing Behavior, and Thermal Stability Studies of a Homologous Series ofn-Alkyl-Substituted Polyhedral Oligomeric Silsesquioxanes
• Authors of publication: El Aziz, Youssef; Bassindale, Alan R.; Taylor, Peter G.; Stephenson, Richard A.; Hursthouse, Michael B.; Harrington, Ross W.; Clegg, William
• Journal of publication: Macromolecules
• Year of publication: 2013
• Journal volume: 46
• Journal issue: 3
• Pages of publication: 988
• a: 8.5414 ± 0.001 Å
• b: 8.9275 ± 0.0012 Å
• c: 23.11 ± 0.003 Å
• α: 84.579 ± 0.006°
• β: 87.068 ± 0.007°
• γ: 89.294 ± 0.008°
• Cell volume: 1752 ± 0.4 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: 0.2561
• Residual factor for significantly intense reflections: 0.1423
• Weighted residual factors for significantly intense reflections: 0.1688
• Weighted residual factors for all reflections included in the refinement: 0.2052
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No