Information card for entry 1508832

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](O1)(O[Si](O3)(O[Si](O4)(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: 21.4407 ± 0.0004 Å
• b: 21.4407 ± 0.0004 Å
• c: 15.4535 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7104 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 85
• Hermann-Mauguin space group symbol: P 4/n :2
• Hall space group symbol: -P 4a
• Residual factor for all reflections: 0.0981
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.0973
• Weighted residual factors for all reflections included in the refinement: 0.1173
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No