Information card for entry 1574274

Structure parameters

• Formula: C32 H27 B2 N3 O2
• Calculated formula: C32 H27 B2 N3 O2
• SMILES: O1c2c(C3O[B]([N]4[N]=3[B]1(n1c(C=4)c(cc1C)C)c1ccccc1)(c1ccccc1)c1ccccc1)cccc2
• Title of publication: A novel boron-stereogenic fluorophore with dual-state circular polarization luminescence via a self-dispersing strategy
• Authors of publication: Yu, Changjiang; Cheng, Chao; Liu, Zhangzhan; Ni, Zhigang; Zhao, Zujin; Lu, Hua; Hao, Erhong; Jiao, Lijuan
• Journal of publication: Chemical Science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 18
• Pages of publication: 7971 - 7980
• a: 9.6663 ± 0.0007 Å
• b: 10.0753 ± 0.0008 Å
• c: 14.4164 ± 0.0013 Å
• α: 92.413 ± 0.003°
• β: 101.539 ± 0.003°
• γ: 93.307 ± 0.003°
• Cell volume: 1371.29 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1097
• Residual factor for significantly intense reflections: 0.0839
• Weighted residual factors for significantly intense reflections: 0.1838
• Weighted residual factors for all reflections included in the refinement: 0.1961
• Goodness-of-fit parameter for all reflections included in the refinement: 1.128
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No