Information card for entry 7227516

Structure parameters

• Chemical name: 22
• Formula: C24 H22 B F2 N3 O S
• Calculated formula: C24 H22 B F2 N3 O S
• SMILES: s1c(/C=C(c2ccc(cc2)[N]2=Cc3c(cc(cc3)N(CC)CC)O[B]2(F)F)\C#N)ccc1
• Title of publication: Multi-stimuli-responsive fluorescence of a highly emissive difluoroboron complex in both solution and solid states
• Authors of publication: Fang, Wenyan; Zhang, Yuyang; Zhang, Gaobin; Kong, Lin; Yang, Longmei; Yang, Jiaxiang
• Journal of publication: CrystEngComm
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 9
• Pages of publication: 1294
• a: 6.5 ± 0.007 Å
• b: 26.53 ± 0.03 Å
• c: 12.8 ± 0.013 Å
• α: 90°
• β: 104.287 ± 0.014°
• γ: 90°
• Cell volume: 2139 ± 4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• 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: 0.1108
• Residual factor for significantly intense reflections: 0.0766
• Weighted residual factors for significantly intense reflections: 0.2161
• Weighted residual factors for all reflections included in the refinement: 0.2566
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No