Information card for entry 7057406

Structure parameters

• Formula: C47 H60 O5
• Calculated formula: C47 H60 O5
• Title of publication: 2,3-Ethylene-bridged dihomooxacalix[4]arenes: synthesis, X-ray crystal structures and highly selective binding properties with anions
• Authors of publication: An, Lin; Wang, Jia-wei; Wang, Chan; Zhou, Shan-shan; Sun, Jing; Yan, Chao-Guo
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 13
• Pages of publication: 10689
• a: 19.627 ± 0.002 Å
• b: 14.7493 ± 0.0017 Å
• c: 29.848 ± 0.003 Å
• α: 90°
• β: 101.629 ± 0.006°
• γ: 90°
• Cell volume: 8463.2 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.2013
• Residual factor for significantly intense reflections: 0.1921
• Weighted residual factors for significantly intense reflections: 0.4044
• Weighted residual factors for all reflections included in the refinement: 0.409
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No