Information card for entry 8000491

Structure parameters

• Formula: C52 H16 N4 O8
• Calculated formula: C52 H16 N4 O8
• Title of publication: Coexistence of Parallel and Rotary Stackings in the Lamellar Crystals of a Perylene Bisimide Dyad for Temperature-Sensitive Bicomponent Emission.
• Authors of publication: Chen, Jiehuan; Tang, Ningning; Zhou, Jiadong; Wang, Liangxuan; Jiang, Nianqiang; Zheng, Nan; Liu, Linlin; Xie, Zengqi
• Journal of publication: The journal of physical chemistry letters
• Year of publication: 2021
• Pages of publication: 3373 - 3378
• a: 24.786 ± 0.008 Å
• b: 38.64 ± 0.005 Å
• c: 9.0207 ± 0.0007 Å
• α: 90°
• β: 91.074 ± 0.018°
• γ: 90°
• Cell volume: 8638 ± 3 ų
• Cell temperature: 149.99 ± 0.1 K
• Ambient diffraction temperature: 149.99 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.3702
• Residual factor for significantly intense reflections: 0.2234
• Weighted residual factors for significantly intense reflections: 0.5168
• Weighted residual factors for all reflections included in the refinement: 0.5841
• Goodness-of-fit parameter for all reflections included in the refinement: 1.272
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No