Information card for entry 2102021

Structure parameters

• Chemical name: 1,1,3,3-Tetraphenyldisiloxane-1,3-diol‒hexamethylenetetramine (1/1)
• Formula: C30 H34 N4 O3 Si2
• Calculated formula: C30 H34 N4 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: 16.1555 ± 0.0009 Å
• b: 8.4622 ± 0.001 Å
• c: 21.8427 ± 0.0016 Å
• α: 90°
• β: 97.386 ± 0.005°
• γ: 90°
• Cell volume: 2961.4 ± 0.4 ų
• Cell temperature: 294 ± 1 K
• Ambient diffraction temperature: 294 ± 1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1075
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for all reflections included in the refinement: 0.1156
• Goodness-of-fit parameter for all reflections included in the refinement: 0.946
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes