Information card for entry 1574276

Structure parameters

• Formula: C30 H23 B2 N3 O2
• Calculated formula: C30 H23 B2 N3 O2
• SMILES: O1C2=[N]3[N](=Cc4n(ccc4)[B]3(Oc3c2cccc3)c2ccccc2)[B]1(c1ccccc1)c1ccccc1
• 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: 9.9773 ± 0.0004 Å
• b: 10.9806 ± 0.0005 Å
• c: 13.4862 ± 0.0005 Å
• α: 74.857 ± 0.002°
• β: 79.474 ± 0.002°
• γ: 63.421 ± 0.002°
• Cell volume: 1271.77 ± 0.09 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: 0.0673
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.1232
• Weighted residual factors for all reflections included in the refinement: 0.1338
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No