Information card for entry 2243564

Structure parameters

• Common name: b1135HAR
• Formula: C13 H18 O3 Si
• Calculated formula: C13 H18 O3 Si
• SMILES: [Si](C1=CCCO1)(C1=CCCO1)(C1=CCCO1)C
• Title of publication: Crystal structures, Hirshfeld atom refinements and Hirshfeld surface analyses of tris(4,5-dihydrofuran-2-yl)methylsilane and tris(4,5-dihydrofuran-2-yl)phenylsilane
• Authors of publication: Krupp, Anna; Barth, Eva Rebecca; Seymen, Rana; Strohmann, Carsten
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2020
• Journal volume: 76
• Journal issue: 9
• Pages of publication: 1514 - 1519
• a: 7.9801 ± 0.0004 Å
• b: 12.2381 ± 0.0005 Å
• c: 13.3712 ± 0.0007 Å
• α: 90°
• β: 90.134 ± 0.002°
• γ: 90°
• Cell volume: 1305.84 ± 0.11 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0234
• Residual factor for significantly intense reflections: 0.0234
• Weighted residual factors for all reflections: 0.0171
• Weighted residual factors for significantly intense reflections: 0.0171
• Weighted residual factors for all reflections included in the refinement: 0.0171
• Goodness-of-fit parameter for all reflections included in the refinement: 1.9368
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes