Information card for entry 1577185

Structure parameters

• Formula: C77 H92
• Calculated formula: C77 H92
• 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: 10.7993 ± 0.0004 Å
• b: 17.2568 ± 0.0006 Å
• c: 17.2568 ± 0.0006 Å
• α: 98.46°
• β: 93.24°
• γ: 93.24°
• Cell volume: 3169.1 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 2
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0962
• Residual factor for significantly intense reflections: 0.0703
• Weighted residual factors for significantly intense reflections: 0.1748
• Weighted residual factors for all reflections included in the refinement: 0.1946
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No