Information card for entry 7120623

Structure parameters

• Formula: C64 H68 O14 Si12
• Calculated formula: C64 H68 O14 Si12
• SMILES: [Si]12(O[Si](O[Si](C#C)(C)C)(O[Si](O[Si](O[Si](C#C)(C)C)(O1)c1ccccc1)(O[Si]1(O[Si](O[Si](O2)(O[Si](O[Si](C)(C#C)C)(O1)c1ccccc1)c1ccccc1)(O[Si](C#C)(C)C)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1
• Title of publication: Tetra-functional double-decker silsesquioxanes as anchors for reactive functional groups and potential synthons for hybrid materials
• Authors of publication: Mituła, K.; Duszczak, J.; Brząkalski, D.; Dudziec, B.; Kubicki, M.; Marciniec, B.
• Journal of publication: Chem. Commun.
• Year of publication: 2017
• a: 22.853 ± 0.0003 Å
• b: 14.1212 ± 0.0002 Å
• c: 22.8872 ± 0.0003 Å
• α: 90°
• β: 98.244 ± 0.002°
• γ: 90°
• Cell volume: 7309.65 ± 0.17 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0498
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.1047
• Weighted residual factors for all reflections included in the refinement: 0.1111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No