Information card for entry 4067769

Structure parameters

• Common name: Tetrakis(4-diisopropylhydroxysilylphenyl)silane
• Formula: C55 H92 O4 Si5
• Calculated formula: C55 H92 O4 Si5
• SMILES: [Si](c1ccc([Si](O)(C(C)C)C(C)C)cc1)(c1ccc([Si](O)(C(C)C)C(C)C)cc1)(c1ccc([Si](O)(C(C)C)C(C)C)cc1)c1ccc([Si](O)(C(C)C)C(C)C)cc1.C(CCCCC)C
• Title of publication: Hydrogen-Bonding 3D Networks by Polyhedral Organosilanols: Selective Inclusion of Hydrocarbons in Open Frameworks
• Authors of publication: Kawakami, Yoshiteru; Sakuma, Yoshinobu; Wakuda, Takashi; Nakai, Tatsuya; Shirasaka, Masayoshi; Kabe, Yoshio
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 15
• Pages of publication: 3281
• a: 12.7 ± 0.002 Å
• b: 13.154 ± 0.002 Å
• c: 17.541 ± 0.003 Å
• α: 90°
• β: 93.05 ± 0°
• γ: 90°
• Cell volume: 2926.2 ± 0.8 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 4
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.0775
• Residual factor for significantly intense reflections: 0.0707
• Weighted residual factors for significantly intense reflections: 0.1653
• Weighted residual factors for all reflections included in the refinement: 0.1735
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No