Information card for entry 1577190

Structure parameters

• Formula: C344.89 H378.68 Cl3.74
• Calculated formula: C342.501 H376.104 Cl2.4169
• 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: 14.4516 ± 0.0013 Å
• b: 28.598 ± 0.002 Å
• c: 39.034 ± 0.003 Å
• α: 101.304 ± 0.006°
• β: 91.702 ± 0.006°
• γ: 101.051 ± 0.006°
• Cell volume: 15488 ± 2 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: 0.1814
• Residual factor for significantly intense reflections: 0.1179
• Weighted residual factors for significantly intense reflections: 0.3192
• Weighted residual factors for all reflections included in the refinement: 0.3797
• Goodness-of-fit parameter for all reflections included in the refinement: 1.186
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No