Information card for entry 2102023

Structure parameters

• Chemical name: 1,1,3,3-Tetraphenyldisiloxane-1,3-diol‒pyrazine (2/1)
• Formula: C52 H48 N2 O6 Si4
• Calculated formula: C52 H48 N2 O6 Si4
• SMILES: O([Si](c1ccccc1)(O)c1ccccc1)[Si](O)(c1ccccc1)c1ccccc1.c1cnccn1.O[Si](O[Si](O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 8.8365 ± 0.0008 Å
• b: 10.8028 ± 0.001 Å
• c: 13.3231 ± 0.0016 Å
• α: 108.74 ± 0.011°
• β: 89.774 ± 0.014°
• γ: 94.792 ± 0.01°
• Cell volume: 1199.8 ± 0.2 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: 0.0806
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for all reflections included in the refinement: 0.1117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes