Information card for entry 7717762

Structure parameters

• Formula: C34 H52 Cl2 F6 N2 O18
• Calculated formula: C34 H52 Cl2 F6 N2 O18
• Title of publication: Anionic modulation induces molecular polarity in a three-component crown ether system.
• Authors of publication: Liu, Feiyan; Chen, Guoyong; Liu, Xiao; Jiang, Ting; Guo, Wenjing; Li, Xiancai; Wei, Zhenhong
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 7
• Pages of publication: 2793 - 2798
• a: 14.5944 ± 0.0005 Å
• b: 9.4697 ± 0.0002 Å
• c: 17.1687 ± 0.0005 Å
• α: 90°
• β: 111.882 ± 0.004°
• γ: 90°
• Cell volume: 2201.84 ± 0.13 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0683
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.1581
• Weighted residual factors for all reflections included in the refinement: 0.1684
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No