Information card for entry 1575343

Structure parameters

• Formula: C17 H28 Cl F2 N O9
• Calculated formula: C17 H28 Cl F2 N O8.996
• Title of publication: Benzylamine cation-directed introduction of a polar structure in a stator-rotor crown ether system.
• Authors of publication: Liu, Feiyan; Wu, Yaozhen; Chen, Guoyong; Yan, Guobing; Li, Xiancai; Wei, Zhenhong
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 73
• Pages of publication: 13928 - 13931
• a: 8.4791 ± 0.0005 Å
• b: 15.2313 ± 0.0011 Å
• c: 17.2552 ± 0.001 Å
• α: 90°
• β: 91.612 ± 0.005°
• γ: 90°
• Cell volume: 2227.6 ± 0.2 ų
• Cell temperature: 299.69 ± 0.1 K
• Ambient diffraction temperature: 299.69 ± 0.1 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: 0.0721
• Residual factor for significantly intense reflections: 0.0596
• Weighted residual factors for significantly intense reflections: 0.1711
• Weighted residual factors for all reflections included in the refinement: 0.1818
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No