Information card for entry 7120624

Structure parameters

• Formula: C64 H76 O14 Si12
• Calculated formula: C64 H76 O14 Si12
• SMILES: [Si]12(O[Si](O[Si](O[Si](O1)(c1ccccc1)O[Si](C)(C)C=C)(O[Si]1(O[Si](O[Si](O2)(c2ccccc2)O[Si](O1)(c1ccccc1)O[Si](C)(C)C=C)(c1ccccc1)O[Si](C)(C)C=C)c1ccccc1)c1ccccc1)(c1ccccc1)O[Si](C)(C)C=C)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: 12.927 ± 0.002 Å
• b: 21.826 ± 0.003 Å
• c: 26.008 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7338 ± 1.9 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0643
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.0863
• Weighted residual factors for all reflections included in the refinement: 0.0928
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No