Information card for entry 7035507

Structure parameters

• Formula: C20 H19 B F2 N4
• Calculated formula: C20 H19 B F2 N4
• SMILES: [B]1(F)(F)n2c(cc(c2c2c(c3c(cc(C)[nH]3)C)nc3ccccc3[n]12)C)C
• Title of publication: Dipyrrolylquinoxaline difluoroborates with intense red solid-state fluorescence.
• Authors of publication: Yu, Changjiang; Hao, Erhong; Li, Tingting; Wang, Jun; Sheng, Wanle; Wei, Yun; Mu, Xiaolong; Jiao, Lijuan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 31
• Pages of publication: 13897 - 13905
• a: 8.6636 ± 0.0009 Å
• b: 9.9831 ± 0.001 Å
• c: 11.0281 ± 0.0011 Å
• α: 97.364 ± 0.001°
• β: 91.137 ± 0.001°
• γ: 108.793 ± 0.001°
• Cell volume: 893.62 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0533
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.1204
• Weighted residual factors for all reflections included in the refinement: 0.1284
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No