Information card for entry 7708029

Structure parameters

• Formula: C25 H24 B F2 N O
• Calculated formula: C25 H24 B F2 N O
• SMILES: F[B]1(F)[N](=C(c2c3CCc4ccc(cc4)CCc(c2O1)cc3)C)Cc1ccccc1
• Title of publication: Planar chiral [2.2]paracyclophanyl-based boron fluoride complexes: synthesis, crystal structure and photophysical properties
• Authors of publication: Duan, Wen-zeng; Ji, Honghan; Yang, Zeren; Yao, Qingxia; Huo, Yanmin; Ren, Xuerui; Zhao, Jiaojiao; Gong, Shuwen
• Journal of publication: Dalton Transactions
• Year of publication: 2021
• a: 9.9193 ± 0.0011 Å
• b: 12.6175 ± 0.0011 Å
• c: 16.173 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2024.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0784
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.113
• Weighted residual factors for all reflections included in the refinement: 0.131
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No