Information card for entry 2102020

Structure parameters

• Chemical name: 1,1,3,3,5,5-Hexaphenyltrisiloxane-1,5-diol‒pyridine (2/3)
• Formula: C87 H79 N3 O8 Si6
• Calculated formula: C87 H79 N3 O8 Si6
• 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: 10.7764 ± 0.001 Å
• b: 12.8122 ± 0.0012 Å
• c: 15.1733 ± 0.0013 Å
• α: 91.999 ± 0.011°
• β: 94.851 ± 0.013°
• γ: 109.063 ± 0.007°
• Cell volume: 1968.6 ± 0.3 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: 0.0821
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for all reflections included in the refinement: 0.1178
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes