Information card for entry 1573419

Structure parameters

• Formula: C92 H94 Cl4 N5 O12
• Calculated formula: C83 H73 Cl4 N5 O9
• Title of publication: Reversal of chirality in solutions and aggregates of chiral tetrachlorinated diperylene diimides towards efficient circularly polarized light detection.
• Authors of publication: Gao, Ke; Lee, Sang Hyuk; Zhao, Wenkai; Ahn, Jaeyong; Kim, Tae Woo; Li, Zhenping; Zhuo, Huagui; Wang, Zhiwei; Zheng, Xinglong; Yan, Yang; Chang, Gang; Ma, Wei; Zhang, Mingming; Long, Guankui; Oh, Joon Hak; Shang, Xiaobo
• Journal of publication: Materials horizons
• Year of publication: 2025
• Journal volume: 12
• Journal issue: 6
• Pages of publication: 1903 - 1912
• a: 14.924 ± 0.003 Å
• b: 15.705 ± 0.003 Å
• c: 17.535 ± 0.004 Å
• α: 89.652 ± 0.013°
• β: 88.476 ± 0.013°
• γ: 78.232 ± 0.012°
• Cell volume: 4022.1 ± 1.5 ų
• Cell temperature: 193 K
• Ambient diffraction temperature: 193 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.1209
• Residual factor for significantly intense reflections: 0.0924
• Weighted residual factors for significantly intense reflections: 0.2346
• Weighted residual factors for all reflections included in the refinement: 0.2646
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No