Information card for entry 7118430

Structure parameters

• Formula: C24 H21 B F2 N4
• Calculated formula: C24 H21 B F2 N4
• SMILES: F[B]1(F)[n]2c3ccccc3ccc2N=C(N1c1ccccc1)c1ccc(N(C)C)cc1
• Title of publication: A boron difluoride dye showing the aggregation-induced emission feature and high sensitivity to intra- and extra-cellular pH changes
• Authors of publication: Dan Wu; Li Shao; Yang Li; Qinglian Hu; Feihe Huang; Guocan Yu; Guping Tang
• Journal of publication: Chem.Commun.
• Year of publication: 2016
• Journal volume: 52
• Pages of publication: 541
• a: 8.4892 ± 0.0007 Å
• b: 8.7454 ± 0.0007 Å
• c: 14.2585 ± 0.0011 Å
• α: 83.179 ± 0.007°
• β: 79.851 ± 0.007°
• γ: 84.564 ± 0.007°
• Cell volume: 1031.68 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.15 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: 0.0773
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.1119
• Weighted residual factors for all reflections included in the refinement: 0.1357
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No