Information card for entry 7132245

Structure parameters

• Formula: C18 H17 B2 F4 N5
• Calculated formula: C18 H17 B2 F4 N5
• SMILES: F[B]1(F)N2[N](=Cc3n1ccc3)[B](F)(F)[n]1c2cccc1N[C@@H](c1ccccc1)C
• Title of publication: Dynamically Stable co-Assembled Supramolecular BOPPY Systems with Chiral Amplification
• Authors of publication: Sun, Yingzhu; Yu, Changjiang; Qian, Wanping; Zhang, Hong-Tao; Jiao, Lijuan; Li, Jiazhu; Liu, Minghua; Hao, Erhong
• Journal of publication: Chemical Communications
• Year of publication: 2023
• a: 7.1889 ± 0.0007 Å
• b: 15.9463 ± 0.0016 Å
• c: 16.8015 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1926.1 ± 0.3 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 5
• 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: 0.0789
• Residual factor for significantly intense reflections: 0.0553
• Weighted residual factors for significantly intense reflections: 0.1336
• Weighted residual factors for all reflections included in the refinement: 0.1504
• Goodness-of-fit parameter for all reflections included in the refinement: 0.954
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No