Information card for entry 7031754

Structure parameters

• Formula: C14 H13 B Cl F2 N3 O2
• Calculated formula: C14 H13 B Cl F2 N3 O2
• SMILES: ClCC(=O)Nc1nc2[n]3c(cc(c2cc1)C)C=C(O[B]3(F)F)C
• 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: 7.645 ± 0.0015 Å
• b: 12.31 ± 0.003 Å
• c: 16.339 ± 0.003 Å
• α: 94.37 ± 0.03°
• β: 99.76 ± 0.03°
• γ: 95.76 ± 0.03°
• Cell volume: 1500.9 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0662
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.1678
• Weighted residual factors for all reflections included in the refinement: 0.1865
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No