Information card for entry 7031750

Structure parameters

• Formula: C12 H12 B F2 N3 O
• Calculated formula: C12 H12 B F2 N3 O
• SMILES: F[B]1(F)OC(=Nc2[n]1c1nc(cc(c1cc2)C)C)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: 7.2978 ± 0.0008 Å
• b: 8.114 ± 0.001 Å
• c: 10.499 ± 0.0013 Å
• α: 93.34 ± 0.02°
• β: 107.6 ± 0.02°
• γ: 94.49 ± 0.03°
• Cell volume: 588.57 ± 0.14 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0503
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1337
• Weighted residual factors for all reflections included in the refinement: 0.1369
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No