Information card for entry 1516173

Structure parameters

• Formula: C14 H17 B F2 N4
• Calculated formula: C14 H17 B F2 N4
• SMILES: [B]1(F)(F)n2c(cc(c2C=N[N]1=Cc1c(cc(C)[nH]1)C)C)C
• 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: 8.058 ± 0.0009 Å
• b: 21.225 ± 0.002 Å
• c: 8.7995 ± 0.001 Å
• α: 90°
• β: 102.217 ± 0.001°
• γ: 90°
• Cell volume: 1470.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0679
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.1465
• Weighted residual factors for all reflections included in the refinement: 0.1627
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No