Information card for entry 7709168

Structure parameters

• Formula: C72 H76 O14 Si12
• Calculated formula: C72 H76 O14 Si12
• SMILES: [Si]1(c2ccccc2)(O[Si]2(c3ccccc3)O[Si](c3ccccc3)(O[Si](c3ccccc3)(O1)O[Si]1(c3ccccc3)O[Si](c3ccccc3)(O[Si](c3ccccc3)(O2)O[Si](c2ccccc2)(O1)O[Si](C=C)(C=C)C=C)O[Si](C=C)(C=C)C=C)O[Si](C=C)(C=C)C=C)O[Si](C=C)(C=C)C=C
• Title of publication: Vinyl- and chloromethyl-substituted mono-T8 and double-decker silsesquioxanes as specific cores to low generation dendritic systems
• Authors of publication: Mrzygłód, Aleksandra; Kubicki, Maciej; Dudziec, Beata
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 24.28388 ± 0.00012 Å
• b: 22.79629 ± 0.00011 Å
• c: 14.35553 ± 0.00007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7946.97 ± 0.07 ų
• Cell temperature: 130 ± 1 K
• Ambient diffraction temperature: 130 ± 1 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0418
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.1146
• Weighted residual factors for all reflections included in the refinement: 0.1156
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No