Information card for entry 1572972

Structure parameters

• Formula: C40 H52 Cl F6 N5 O4
• Calculated formula: C40 H52 Cl F6 N5 O4
• Title of publication: Stimuli-responsive anion transport utilising caged hydrazone-based anionophores
• Authors of publication: Ahmad, Manzoor; Flerin, Martin; Tay, Hui Min; Thompson, Amber L.; Duarte, Fernanda; Langton, Matthew J.
• Journal of publication: Nanoscale
• Year of publication: 2024
• a: 10.5597 ± 0.0004 Å
• b: 10.1486 ± 0.0005 Å
• c: 38.667 ± 0.002 Å
• α: 90°
• β: 92.415 ± 0.004°
• γ: 90°
• Cell volume: 4140.1 ± 0.3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.1108
• Residual factor for significantly intense reflections: 0.0925
• Weighted residual factors for all reflections: 0.2351
• Weighted residual factors for significantly intense reflections: 0.2235
• Weighted residual factors for all reflections included in the refinement: 0.2351
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0307
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No