Information card for entry 7221132

Structure parameters

• Formula: C22 H22 O4
• Calculated formula: C22 H22 O4
• Title of publication: Efficient packing of long flexible bis-imidazolium cations in the ubiquitous bilayers of their p-sulfonatocalixarene salts
• Authors of publication: Ling, Irene; Sobolev, Alexandre N.; Sabah, Karem; Hashim, Rauzah
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 30
• Pages of publication: 5841
• a: 19.6775 ± 0.0018 Å
• b: 7.2816 ± 0.0009 Å
• c: 6.0174 ± 0.0006 Å
• α: 90°
• β: 96.137 ± 0.009°
• γ: 90°
• Cell volume: 857.25 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• 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: 0.0734
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.1322
• Weighted residual factors for all reflections included in the refinement: 0.1456
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No