Information card for entry 2102025

Structure parameters

• Chemical name: 1,1,3,3-Tetraphenyldisiloxane-1,3-diol‒pyrimidine (1/1)
• Formula: C28 H26 N2 O3 Si2
• Calculated formula: C28 H26 N2 O3 Si2
• Title of publication: Oligosiloxanediols as building blocks for supramolecular chemistry: hydrogen-bonded adducts with amines form supramolecular structures in zero, one and two dimensions
• Authors of publication: O'Leary, Brian; Spalding, Trevor R.; Ferguson, George; Glidewell, Christopher
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 2
• Pages of publication: 273 - 286
• a: 6.4358 ± 0.0005 Å
• b: 10.2497 ± 0.0012 Å
• c: 10.4056 ± 0.001 Å
• α: 76 ± 0.007°
• β: 84.438 ± 0.009°
• γ: 86.372 ± 0.012°
• Cell volume: 662.32 ± 0.11 ų
• Cell temperature: 294 ± 1 K
• Ambient diffraction temperature: 294 ± 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: 0.0521
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for all reflections included in the refinement: 0.1311
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes