Information card for entry 2008446

Structure parameters

• Chemical name: 4-(2'-furyl)[2.2]paracyclophane
• Formula: C20 H18 O
• Calculated formula: C20 H18 O
• SMILES: o1c(c2c3CCc4ccc(CCc(c2)cc3)cc4)ccc1
• Title of publication: Heterocycle-substituted [2.2]paracyclophanes
• Authors of publication: Dix, Ina; Hopf, Henning; Jones, Peter G.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 5
• Pages of publication: 756 - 759
• a: 7.4177 ± 0.0008 Å
• b: 21.393 ± 0.002 Å
• c: 9.2734 ± 0.001 Å
• α: 90°
• β: 101.766 ± 0.008°
• γ: 90°
• Cell volume: 1440.6 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0536
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for all reflections included in the refinement: 0.1254
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No