Information card for entry 2105514

Structure parameters

• Chemical name: 4,4'-Biphenol‒1,4-diazabicyclo[2.2.2]octane (1/1).
• Formula: C18 H22 N2 O2
• Calculated formula: C18 H22 N2 O2
• Title of publication: Formation of One-Dimensional Chains, Two-Dimensional Bilayers and a Three-Dimensional Diamondoid Architecture in Hydrogen-Bonded Adducts of 4,4'-Biphenol with 1,4-Diazabicyclo[2.2.2]octane and 1,2-Diaminoethane
• Authors of publication: Ferguson, G.; Glidewell, C.; Gregson, R. M.; Meehan, P. R.; Patterson, I. L. J.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 2
• Pages of publication: 151 - 161
• a: 12.151 ± 0.0009 Å
• b: 6.3202 ± 0.0004 Å
• c: 21.051 ± 0.002 Å
• α: 90°
• β: 98.875 ± 0.01°
• γ: 90°
• Cell volume: 1597.3 ± 0.2 ų
• Cell temperature: 294 ± 1 K
• Ambient diffraction temperature: 294 ± 1 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0753
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for all reflections: 0.1081
• Weighted residual factors for all reflections included in the refinement: 0.0976
• Goodness-of-fit parameter for all reflections: 1.022
• Goodness-of-fit parameter for all reflections included in the refinement: 1.2
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No