Information card for entry 1577188

Structure parameters

• Formula: C346 H404 Cl36
• Calculated formula: C331 H374 Cl6
• Title of publication: π-Aggregation-Free, Fused Perylene Pentamers: Synthesis, Narrowband Far-Red to Near-Infrared Emission, and Chiroptical Properties
• Authors of publication: Zhou, Qifeng; Bao, Lin-Tao; Liu, Rui; Sun, Zhitao; Ye, Zhuolin; Jiao, Liuying; Fan, Wei; Zou, Ya; Yang, Hai-Bo; Wu, Jishan
• Journal of publication: Chemical Science
• Year of publication: 2026
• a: 15.7143 ± 0.0011 Å
• b: 20.9969 ± 0.0012 Å
• c: 25.849 ± 0.0017 Å
• α: 99.95 ± 0.004°
• β: 93.203 ± 0.005°
• γ: 90.623 ± 0.004°
• Cell volume: 8385.7 ± 0.9 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1893
• Residual factor for significantly intense reflections: 0.132
• Weighted residual factors for significantly intense reflections: 0.3579
• Weighted residual factors for all reflections included in the refinement: 0.3962
• Goodness-of-fit parameter for all reflections included in the refinement: 1.194
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No