Information card for entry 4106731

Structure parameters

• Formula: C122 H152 N8 O6 S
• Calculated formula: C122 H87 N8 O6 S
• Title of publication: A Foldamer-Based Chiroptical Molecular Switch That Displays Complete Inversion of the Helical Sense upon Anion Binding
• Authors of publication: Jae-min Suk; Veluru Ramesh Naidu; Xinfang Liu; Myoung Soo Lah; Kyu-Sung Jeong
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 13938 - 13941
• a: 18.941 ± 0.004 Å
• b: 36.035 ± 0.007 Å
• c: 38.593 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 26341 ± 9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0965
• Residual factor for significantly intense reflections: 0.0797
• Weighted residual factors for significantly intense reflections: 0.2141
• Weighted residual factors for all reflections included in the refinement: 0.2283
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.77 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No