Information card for entry 7711270

Structure parameters

• Formula: C17 H28 Cl F2 N O9
• Calculated formula: C17 H28 Cl F2 N O9
• Title of publication: Two host–guest grown ether supramolecules show switchable phase transition, dielectric and second-harmonic generation effect
• Authors of publication: Ye, Xing; He, Wenhui; Wei, Jing; Wei, Zhenhong; You, Xiuli; Cai, Hu
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 15.475 ± 0.002 Å
• b: 9.1044 ± 0.0012 Å
• c: 15.932 ± 0.002 Å
• α: 90°
• β: 101.773 ± 0.002°
• γ: 90°
• Cell volume: 2197.4 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.1142
• Residual factor for significantly intense reflections: 0.0732
• Weighted residual factors for significantly intense reflections: 0.2488
• Weighted residual factors for all reflections included in the refinement: 0.3006
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No