Information card for entry 7117825

Structure parameters

• Common name: tris(dimethylhydroxysilylmethyl)triethylbenzene
• Formula: C21 H42 O3 Si3
• Calculated formula: C21 H42 O3 Si3
• SMILES: O[Si](Cc1c(CC)c(c(c(c1CC)C[Si](O)(C)C)CC)C[Si](O)(C)C)(C)C
• Title of publication: A hydrogen bonded molecular capsule versus a 3D network of tripodal organopolysilanols
• Authors of publication: Marina Fukawa; Takayuki Sato; Yoshio Kabe
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 14746
• a: 17.538 ± 0.003 Å
• b: 17.538 ± 0.003 Å
• c: 17.538 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5394.4 ± 1.6 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 198
• Hermann-Mauguin space group symbol: P 21 3
• Hall space group symbol: P 2ac 2ab 3
• Residual factor for all reflections: 0.0534
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.1203
• Weighted residual factors for all reflections included in the refinement: 0.1219
• Goodness-of-fit parameter for all reflections included in the refinement: 1.124
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No