Information card for entry 1574273

Structure parameters

• Formula: C30 H22 B2 Cl N3 O2
• Calculated formula: C30 H22 B2 Cl N3 O2
• SMILES: Clc1cc2C3O[B]([N]4[N]=3[B](Oc2cc1)(n1c(C=4)ccc1)c1ccccc1)(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: 10.3708 ± 0.0006 Å
• b: 11.0431 ± 0.0006 Å
• c: 11.9274 ± 0.0006 Å
• α: 86.785 ± 0.004°
• β: 74.699 ± 0.004°
• γ: 74.116 ± 0.004°
• Cell volume: 1267.07 ± 0.12 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0727
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.1398
• Weighted residual factors for all reflections included in the refinement: 0.153
• Goodness-of-fit parameter for all reflections included in the refinement: 0.935
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No