Information card for entry 7154810

Structure parameters

• Formula: C65 H77 Br2 Cl3 N14 O24
• Calculated formula: C65 H77 Br2 Cl3 N14 O24
• Title of publication: Oxacalix[2]arene[2]triazine based ion-pair transporters.
• Authors of publication: Wang, Xu-Dong; Li, Sen; Ao, Yu-Fei; Wang, Qi-Qiang; Huang, Zhi-Tang; Wang, De-Xian
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2016
• Journal volume: 14
• Journal issue: 1
• Pages of publication: 330 - 334
• a: 21.688 ± 0.006 Å
• b: 17.152 ± 0.004 Å
• c: 22.729 ± 0.005 Å
• α: 90°
• β: 115.043 ± 0.003°
• γ: 90°
• Cell volume: 7660 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.1745
• Residual factor for significantly intense reflections: 0.1495
• Weighted residual factors for significantly intense reflections: 0.3675
• Weighted residual factors for all reflections included in the refinement: 0.3798
• Goodness-of-fit parameter for all reflections included in the refinement: 1.882
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No