Information card for entry 7031752

Structure parameters

• Formula: C16 H17 B F2 N3 O3.5
• Calculated formula: C16 H17 B F2 N3 O3.5
• SMILES: F[B]1(F)OC(=Cc2[n]1c1nc(NC(=O)C)ccc1c(c2)CC(=O)C)C.O
• Title of publication: New members of fluorescent 1,8-naphthyridine-based BF2 compounds: selective binding of BF2 with terminal bidentate N^N^O and N^C^O groups and tunable spectroscopy properties.
• Authors of publication: Du, Mei-Ling; Hu, Chun-Yan; Wang, Liu-Fang; Li, Cong; Han, Yang-Yang; Gan, Xin; Chen, Yong; Mu, Wei-Hua; Huang, Michael L.; Fu, Wen-Fu
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 37
• Pages of publication: 13924 - 13931
• a: 20.167 ± 0.006 Å
• b: 17.717 ± 0.005 Å
• c: 9.387 ± 0.003 Å
• α: 90°
• β: 99.038 ± 0.004°
• γ: 90°
• Cell volume: 3312.3 ± 1.7 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0676
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.098
• Weighted residual factors for all reflections included in the refinement: 0.1067
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No