Information card for entry 7123734

Structure parameters

• Formula: C28 H26 B Cl2 F2 N3 O
• Calculated formula: C28 H26 B Cl2 F2 N3 O
• SMILES: F[B]1([N](=Cc2ccc(cc2O1)N(c1ccccc1)c1ccccc1)c1ccc(cc1)N(C)C)F.ClCCl
• Title of publication: Facile construction of boranil complexes with aggregation-induced emission characteristics and their specific lipid droplets imaging applications
• Authors of publication: Zhao, Na; Ma, Chengcheng; Yang, Weiyao; Yin, Wei; Wei, Jiahui; Li, Nan
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 6.3782 ± 0.0003 Å
• b: 11.9598 ± 0.0005 Å
• c: 18.7878 ± 0.0008 Å
• α: 93.233 ± 0.003°
• β: 95.9 ± 0.004°
• γ: 105.309 ± 0.004°
• Cell volume: 1369.77 ± 0.11 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: 0.0836
• Residual factor for significantly intense reflections: 0.0715
• Weighted residual factors for significantly intense reflections: 0.195
• Weighted residual factors for all reflections included in the refinement: 0.2128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No