Information card for entry 4127729

Structure parameters

• Formula: C243 H241 N23 O30 S7
• Calculated formula: C243 H241 N23 O30 S7
• Title of publication: Helical Sulfono-γ-AApeptides with Aggregation-Induced Emission and Circularly Polarized Luminescence.
• Authors of publication: Shi, Yan; Yin, Guangqiang; Yan, Zhiping; Sang, Peng; Wang, Minghui; Brzozowski, Robert; Eswara, Prahathees; Wojtas, Lukasz; Zheng, Youxuan; Li, Xiaopeng; Cai, Jianfeng
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 32
• Pages of publication: 12697 - 12706
• a: 17.2882 ± 0.0014 Å
• b: 17.2882 ± 0.0014 Å
• c: 95.075 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 24609 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 99.98 K
• Number of distinct elements: 5
• Space group number: 179
• Hermann-Mauguin space group symbol: P 65 2 2
• Hall space group symbol: P 65 2 (0 0 1)
• Residual factor for all reflections: 0.0875
• Residual factor for significantly intense reflections: 0.0697
• Weighted residual factors for significantly intense reflections: 0.1992
• Weighted residual factors for all reflections included in the refinement: 0.2171
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No