Information card for entry 7708026

Structure parameters

• Formula: C26 H26 B F2 N O
• Calculated formula: C26 H26 B F2 N O
• SMILES: F[B]1(F)Oc2c3ccc(c2C(=[N]1[C@@H](c1ccccc1)C)C)CCc1ccc(cc1)CC3
• 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: 7.5642 ± 0.0005 Å
• b: 9.5549 ± 0.0006 Å
• c: 28.5373 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2062.5 ± 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: 0.0669
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.1078
• Weighted residual factors for all reflections included in the refinement: 0.1233
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No