Information card for entry 1572705

Structure parameters

• Formula: C48 H48 Cl3.5 F2 N4
• Calculated formula: C48 H48 Cl3.5 F2 N4
• Title of publication: Tether-entangled conjugated helices.
• Authors of publication: Jin, Ke; Xiao, Zuo; Xie, Huidong; Shen, Xingxing; Wang, Jizheng; Chen, Xiangyu; Wang, Zhijie; Zhao, Zujin; Yan, Keyou; Ding, Yong; Ding, Liming
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 41
• Pages of publication: 17128 - 17149
• a: 15.9463 ± 0.0003 Å
• b: 15.9463 ± 0.0003 Å
• c: 35.1878 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8947.7 ± 0.4 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 5
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.0889
• Residual factor for significantly intense reflections: 0.0757
• Weighted residual factors for significantly intense reflections: 0.2198
• Weighted residual factors for all reflections included in the refinement: 0.2383
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No