Information card for entry 2009351

Structure parameters

• Chemical name: 2,2'-Biphenol—diazabicyclo[2.2.2]octane (2/1)
• Formula: C30 H32 N2 O4
• Calculated formula: C30 H32 N2 O4
• Title of publication: 2,2'-Biphenol‒1,4-diazabicyclo[2.2.2]octane (2/1), a three-dimensional framework built from O—H···O, O—H···N, N—H···O and C—H···π(arene) hydrogen bonds
• Authors of publication: Glidewell, Christopher; Ferguson, George; Gregson, Richard M.; Lough, Alan J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 12
• Pages of publication: 2136 - 2140
• a: 27.9391 ± 0.0008 Å
• b: 27.9391 ± 0.0008 Å
• c: 12.7565 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9957.6 ± 0.5 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 4
• Space group number: 81
• Hermann-Mauguin space group symbol: P -4
• Hall space group symbol: P -4
• Residual factor for all reflections: 0.1279
• Residual factor for significantly intense reflections: 0.0572
• Weighted residual factors for all reflections included in the refinement: 0.1619
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No