Information card for entry 7035561

Structure parameters

• Formula: C23 H19 B F2 N2 O S
• Calculated formula: C23 H19 B F2 N2 O S
• SMILES: F[B]1(F)[n]2c(sc3c2cccc3)C(=C(O1)c1ccc(N(C)C)cc1)c1ccccc1
• Title of publication: AIE-active organoboron complexes with highly efficient solid-state luminescence and their application as gas sensitive materials.
• Authors of publication: Gong, Shuwen; Liu, Qingsong; Wang, Xiaoqing; Xia, Bo; Liu, Zhipeng; He, Weijiang
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 31
• Pages of publication: 14063 - 14070
• a: 12.4688 ± 0.0011 Å
• b: 11.0347 ± 0.0009 Å
• c: 14.9694 ± 0.0012 Å
• α: 90°
• β: 90.258 ± 0.001°
• γ: 90°
• Cell volume: 2059.6 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1319
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.1106
• Weighted residual factors for all reflections included in the refinement: 0.1379
• Goodness-of-fit parameter for all reflections included in the refinement: 0.951
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No