Information card for entry 2102493

Structure parameters

• Chemical name: Triphenylsilanol‒1,4-diazabicyclo[2.2.2]octane (4/1)
• Formula: C78 H76 N2 O4 Si4
• Calculated formula: C78 H76 N2 O4 Si4
• Title of publication: Hydrogen-bonded adducts of triphenylsilanol with diamines: a finite ten-molecule aggregate, and chain, sheet and framework structures built from O—H···O, O—H···N and C—H···π(arene) hydrogen bonds
• Authors of publication: Turkington, David E.; Lough, Alan J.; Ferguson, George; Glidewell, Christopher
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 2
• Pages of publication: 238 - 248
• a: 15.2124 ± 0.0005 Å
• b: 18.958 ± 0.0004 Å
• c: 23.3561 ± 0.0007 Å
• α: 86.713 ± 0.002°
• β: 85.727 ± 0.002°
• γ: 81.563 ± 0.002°
• Cell volume: 6637 ± 0.3 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1916
• Residual factor for significantly intense reflections: 0.0727
• Weighted residual factors for significantly intense reflections: 0.1693
• Weighted residual factors for all reflections included in the refinement: 0.2252
• Goodness-of-fit parameter for all reflections included in the refinement: 0.955
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No