Information card for entry 1575342

Structure parameters

• Formula: C17 H28 Cl F2 N O9
• Calculated formula: C17 H28 Cl F2 N O9
• 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: 16.6646 ± 0.0002 Å
• b: 15.0396 ± 0.0001 Å
• c: 18.7902 ± 0.0002 Å
• α: 90°
• β: 113.962 ± 0.002°
• γ: 90°
• Cell volume: 4303.49 ± 0.1 ų
• Cell temperature: 200 ± 0.1 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0545
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1449
• Weighted residual factors for all reflections included in the refinement: 0.1493
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No