Information card for entry 1508834

Structure parameters

• Formula: C32 H72 O12 Si8
• Calculated formula: C32 H72 O12 Si8
• SMILES: [Si]12(O[Si]3(O[Si]4(O[Si]5(O[Si](O3)(O[Si](O1)(O[Si](O[Si](O2)(O4)CCCC)(O5)CCCC)CCCC)CCCC)CCCC)CCCC)CCCC)CCCC
• 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: 9.5947 ± 0.0009 Å
• b: 9.6312 ± 0.0008 Å
• c: 13.6739 ± 0.0013 Å
• α: 75.877 ± 0.006°
• β: 80.373 ± 0.004°
• γ: 80.569 ± 0.005°
• Cell volume: 1198.09 ± 0.19 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: 0.1123
• Residual factor for significantly intense reflections: 0.0599
• Weighted residual factors for significantly intense reflections: 0.1185
• Weighted residual factors for all reflections included in the refinement: 0.1372
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No