Information card for entry 7708028

Structure parameters

• Formula: C24 H29 B F N O2
• Calculated formula: C24 H29 B F N O2
• SMILES: [B@@]12(F)[N](=C(c3c4CCc5ccc(CCc(c3O2)cc4)cc5)C)[C@H](CO1)C(C)(C)C
• 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: 11.244 ± 0.0008 Å
• b: 11.5352 ± 0.0006 Å
• c: 15.7945 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2048.6 ± 0.2 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: 0.0565
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.0964
• Weighted residual factors for all reflections included in the refinement: 0.1043
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No