Information card for entry 2206652

Structure parameters

• Common name: magnolol
• Chemical name: 5,5'-Diallylbiphenyl-2,2'-diol‒1,4-diazabicyclo[2.2.2]octane (2/1)
• Formula: C42 H48 N2 O4
• Calculated formula: C42 H48 N2 O4
• SMILES: c1(cc(c(cc1)O)c1cc(ccc1O)CC=C)CC=C.c1(cc(c(cc1)O)c1cc(ccc1O)CC=C)CC=C.C1CN2CCN1CC2
• Title of publication: 5,5'-Diallylbiphenyl-2,2'-diol‒1,4-diazabicyclo[2.2.2]octane (2/1)
• Authors of publication: Zhi-Min Jin; Li Li; Bing Tu; Mao-Lin Hu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 9
• Pages of publication: o2939 - o2941
• a: 10.272 ± 0.003 Å
• b: 10.646 ± 0.003 Å
• c: 17.697 ± 0.005 Å
• α: 103.948 ± 0.005°
• β: 95.457 ± 0.005°
• γ: 92.632 ± 0.005°
• Cell volume: 1864.9 ± 0.9 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 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: 0.0788
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.1176
• Weighted residual factors for all reflections included in the refinement: 0.1233
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes