Information card for entry 2102022

Structure parameters

• Chemical name: 1,1,3,3-Tetraphenyldisiloxane-1,3-diol‒2,2'-bipyridyl (1/1)
• Formula: C34 H30 N2 O3 Si2
• Calculated formula: C34 H30 N2 O3 Si2
• SMILES: O[Si](c1ccccc1)(c1ccccc1)O[Si](O)(c1ccccc1)c1ccccc1.c1(ccccn1)c1ccccn1
• 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: 8.9245 ± 0.0008 Å
• b: 10.19 ± 0.0017 Å
• c: 17.366 ± 0.0019 Å
• α: 99.57 ± 0.02°
• β: 100.519 ± 0.013°
• γ: 93.8 ± 0.03°
• Cell volume: 1523.5 ± 0.4 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: 0.0516
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for all reflections included in the refinement: 0.1166
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes