Information card for entry 7156819

Structure parameters

• Formula: C44 H48 N4 O12
• Calculated formula: C44 H48 N4 O12
• Title of publication: Synthesis, structure, and anion binding of functional oxacalix[4]arenes.
• Authors of publication: Ma, Jiao-Xia; Fang, Xu; Xue, Min; Yang, Yong
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2019
• Journal volume: 17
• Journal issue: 20
• Pages of publication: 5075 - 5085
• a: 10.4005 ± 0.0015 Å
• b: 17.879 ± 0.003 Å
• c: 22.883 ± 0.003 Å
• α: 90°
• β: 95.991 ± 0.003°
• γ: 90°
• Cell volume: 4231.9 ± 1.1 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1327
• Residual factor for significantly intense reflections: 0.0588
• Weighted residual factors for significantly intense reflections: 0.118
• Weighted residual factors for all reflections included in the refinement: 0.1501
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No