Information card for entry 2105515

Structure parameters

• Chemical name: 4,4'-Biphenol‒1,2-diaminoethane‒methanol (2/1/1)
• Formula: C27 H32 N2 O5
• Calculated formula: C27 H32 N2 O5
• 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: 9.4592 ± 0.0007 Å
• b: 10.6311 ± 0.001 Å
• c: 12.2085 ± 0.0014 Å
• α: 91.812 ± 0.009°
• β: 93.091 ± 0.006°
• γ: 90.652 ± 0.006°
• Cell volume: 1225.2 ± 0.2 ų
• Cell temperature: 294 ± 1 K
• Ambient diffraction temperature: 294 ± 1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0595
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for all reflections: 0.1266
• Weighted residual factors for all reflections included in the refinement: 0.1189
• Goodness-of-fit parameter for all reflections: 1.07
• Goodness-of-fit parameter for all reflections included in the refinement: 1.168
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No