Information card for entry 2004936

Structure parameters

• Chemical name: (Z)-2,3-Bis-4'-[2.2.2]paracyclophanyl-but-2-ene
• Formula: C52 H52
• Calculated formula: C52 H52
• SMILES: C1Cc2c(cc(cc2)CCc2ccc(cc2)CCc2ccc1cc2)/C(=C(\c1c2CCc3ccc(CCc4ccc(CCc(c1)cc2)cc4)cc3)C)C
• Title of publication: (<i>Z</i>)-2,3-Bis(4'-[2.2.2]paracyclophanyl)but-2-ene and μ-η6:η6-[(<i>Z</i>)-2,3-Bis(4'-[2.2.2]paracyclophanyl)but-2-ene]-bis[(hexafluoroantimonato-<i>F</i>)silver(I)] Toluene Dichloromethane (1/1/1)
• Authors of publication: Jones, P. G.; Bubenitschek, P.; Heirtzler, F.; Hopf, H.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 6
• Pages of publication: 1380 - 1384
• a: 9.692 ± 0.003 Å
• b: 13.232 ± 0.004 Å
• c: 29.968 ± 0.007 Å
• α: 90°
• β: 91.31 ± 0.03°
• γ: 90°
• Cell volume: 3842.2 ± 1.9 ų
• Cell temperature: 178 ± 2 K
• Ambient diffraction temperature: 178 ± 2 K
• Number of distinct elements: 2
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1151
• Residual factor for significantly intense reflections: 0.0693
• Weighted residual factors for all reflections: 0.1957
• Weighted residual factors for significantly intense reflections: 0.1506
• Goodness-of-fit parameter for all reflections: 1.069
• Goodness-of-fit parameter for significantly intense reflections: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No