Information card for entry 7120197

Structure parameters

• Chemical name: phenyl IP foldamer
• Formula: C165 H149 N13 O6
• Calculated formula: C165 H149 N13 O6
• Title of publication: Stereospecific control of the helical orientation of indolocarbazole‒pyridine hybrid foldamers by rational modification of terminal chiral appendages
• Authors of publication: Kim, Junyoung; Jeon, Hae-Geun; Kang, Philjae; Jeong, Kyu-Sung
• Journal of publication: Chem. Commun.
• Year of publication: 2017
• a: 25.792 ± 0.005 Å
• b: 30.143 ± 0.006 Å
• c: 39.026 ± 0.008 Å
• α: 90°
• β: 96.73 ± 0.03°
• γ: 90°
• Cell volume: 30132 ± 11 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• 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: 0.1836
• Residual factor for significantly intense reflections: 0.0809
• Weighted residual factors for significantly intense reflections: 0.2175
• Weighted residual factors for all reflections included in the refinement: 0.2637
• Goodness-of-fit parameter for all reflections included in the refinement: 0.915
• Diffraction radiation wavelength: 0.63 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No