Information card for entry 7156820

Structure parameters

• Formula: C28 H16 N4 O16
• Calculated formula: C28 H16 N4 O16
• 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: 9.7079 ± 0.0011 Å
• b: 14.071 ± 0.0018 Å
• c: 20.822 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2844.3 ± 0.6 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0776
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0817
• Weighted residual factors for all reflections included in the refinement: 0.1031
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No