Information card for entry 7117823

Structure parameters

• Common name: tris(diisopropylsilylmethyl)triethylbenzene
• Formula: C33 H66 Si3
• Calculated formula: C33 H66 Si3
• SMILES: c1(c(c(c(c(c1CC)C[SiH](C(C)C)C(C)C)CC)C[SiH](C(C)C)C(C)C)CC)C[SiH](C(C)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: 27.388 ± 0.003 Å
• b: 9.4848 ± 0.0009 Å
• c: 27.972 ± 0.003 Å
• α: 90°
• β: 93.236 ± 0.002°
• γ: 90°
• Cell volume: 7254.7 ± 1.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.078
• Residual factor for significantly intense reflections: 0.0604
• Weighted residual factors for significantly intense reflections: 0.1535
• Weighted residual factors for all reflections included in the refinement: 0.1677
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No