Information card for entry 1516172

Structure parameters

• Formula: C10 H9 B F2 N4
• Calculated formula: C10 H9 B F2 N4
• SMILES: [B]1(F)(F)n2cccc2C=N[N]1=Cc1ccc[nH]1
• Title of publication: Highly Fluorescent BF2 Complexes of Hydrazine-Schiff Base Linked Bispyrrole.
• Authors of publication: Yu, Changjiang; Jiao, Lijuan; Zhang, Ping; Feng, Zeya; Cheng, Chi; Wei, Yun; Mu, Xiaolong; Hao, Erhong
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 11
• Pages of publication: 3048 - 3051
• a: 12.306 ± 0.003 Å
• b: 9.48 ± 0.002 Å
• c: 18.766 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2189.3 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.147
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.0952
• Weighted residual factors for all reflections included in the refinement: 0.1272
• Goodness-of-fit parameter for all reflections included in the refinement: 0.947
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No