Information card for entry 1574280

Structure parameters

• Formula: C97 H86 Cl2 N38 O46
• Calculated formula: C97 H86 Cl2 N38 O46
• Title of publication: Chiral ring-in-ring complexes with torsion-induced circularly polarized luminescence
• Authors of publication: Liu, Jia; Han, Xiujie; Wen, Xin; Yu, Hao; Li, Bao; Wang, Ming; Liu, Minghua; Wu, Guanglu
• Journal of publication: Chemical Science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 18
• Pages of publication: 7858 - 7863
• a: 16.666 ± 0.003 Å
• b: 21.729 ± 0.004 Å
• c: 34.167 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12373 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0859
• Residual factor for significantly intense reflections: 0.082
• Weighted residual factors for significantly intense reflections: 0.2512
• Weighted residual factors for all reflections included in the refinement: 0.2593
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No