Information card for entry 1508838

Structure parameters

• Formula: C48 H104 O12 Si8
• Calculated formula: C48 H104 O12 Si8
• SMILES: [Si]12(O[Si]3(O[Si]4(O[Si](O1)(O[Si]1(O[Si](O[Si](O3)(O[Si](O2)(O1)CCCCCC)CCCCCC)(O4)CCCCCC)CCCCCC)CCCCCC)CCCCCC)CCCCCC)CCCCCC
• 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: 8.664 ± 0.004 Å
• b: 9.475 ± 0.004 Å
• c: 20.486 ± 0.008 Å
• α: 78.122 ± 0.004°
• β: 80.489 ± 0.004°
• γ: 85.953 ± 0.004°
• Cell volume: 1621.9 ± 1.2 ų
• Cell temperature: 210 ± 2 K
• Ambient diffraction temperature: 210 ± 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: 0.0964
• Residual factor for significantly intense reflections: 0.0602
• Weighted residual factors for significantly intense reflections: 0.1611
• Weighted residual factors for all reflections included in the refinement: 0.1865
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.6946 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No