Information card for entry 7129354

Structure parameters

• Formula: C94 H92 N4 O14
• Calculated formula: C94 H92 N4 O14
• Title of publication: Aggregation-induced Chirality Amplification of Optically Active Fluorescent Polyurethane and Cyclic Dimer in the Ground and Excited States
• Authors of publication: Song, Zhiyi; Sato, Hiroyasu; Pietropaolo, Adriana; Wang, Qingyu; Shimoda, Shuhei; Dai, Heshuang; Imai, Yoshitane; Toda, Hayato; Harada, Takunori; Shichibu, Yukatsu; Konishi, Katsuaki; Bando, Masayoshi; Naga, Naofumi; Nakano, Tamaki
• Journal of publication: Chemical Communications
• Year of publication: 2021
• a: 10.2732 ± 0.0001 Å
• b: 26.8858 ± 0.0003 Å
• c: 28.599 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7899.14 ± 0.14 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 4
• 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: 0.0871
• Residual factor for significantly intense reflections: 0.0726
• Weighted residual factors for significantly intense reflections: 0.214
• Weighted residual factors for all reflections included in the refinement: 0.2313
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No