Information card for entry 7120625

Structure parameters

• Formula: C56 H68 O14 Si12
• Calculated formula: C56 H68 O14 Si12
• SMILES: O1[Si]2(c3ccccc3)O[Si](c3ccccc3)(O[Si](c3ccccc3)(O[Si](c3ccccc3)(O2)O[SiH](C)C)O[Si]2(c3ccccc3)O[Si](c3ccccc3)(O[Si]1(c1ccccc1)O[Si](c1ccccc1)(O2)O[SiH](C)C)O[SiH](C)C)O[SiH](C)C
• 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: 12.6679 ± 0.0011 Å
• b: 12.7069 ± 0.001 Å
• c: 13.3265 ± 0.001 Å
• α: 77.041 ± 0.006°
• β: 62.164 ± 0.008°
• γ: 62.244 ± 0.008°
• Cell volume: 1678.6 ± 0.3 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 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: 0.0598
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.1024
• Weighted residual factors for all reflections included in the refinement: 0.1107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No