Information card for entry 4084125

Structure parameters

• Formula: C51.5 H44 O8 Si6
• Calculated formula: C51.5 H44 O8 Si6
• SMILES: [Si@@]12(O[Si@@]3(O[Si@](O[Si@](O1)(O[Si](O2)(c1ccccc1)c1ccccc1)c1ccccc1)(O[Si](O3)(c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1.c1(ccccc1)C
• Title of publication: Synthesis and Properties of Phenylsilsesquioxanes with Ladder and Double-Decker Structures
• Authors of publication: Endo, Hisayuki; Takeda, Nobuhiro; Unno, Masafumi
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 15
• Pages of publication: 4148
• a: 18.4206 ± 0.0011 Å
• b: 10.5744 ± 0.0007 Å
• c: 25.4029 ± 0.0017 Å
• α: 90 ± 0.0007°
• β: 90.4762 ± 0.0007°
• γ: 90 ± 0.0007°
• Cell volume: 4948 ± 0.6 ų
• Cell temperature: 228.15 K
• Ambient diffraction temperature: 228.15 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0468
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.1026
• Weighted residual factors for all reflections included in the refinement: 0.1072
• Goodness-of-fit parameter for all reflections included in the refinement: 1.152
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No