Information card for entry 7035563

Structure parameters

• Formula: C35 H29 B N2 O S
• Calculated formula: C35 H29 B N2 O S
• SMILES: s1c2[n]([B](OC(=C2c2ccccc2)c2ccc(N(C)C)cc2)(c2ccccc2)c2ccccc2)c2c1cccc2
• 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: 30.53 ± 0.03 Å
• b: 12.606 ± 0.011 Å
• c: 16.241 ± 0.015 Å
• α: 90°
• β: 111.74 ± 0.02°
• γ: 90°
• Cell volume: 5806 ± 9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1268
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.1069
• Weighted residual factors for all reflections included in the refinement: 0.1273
• Goodness-of-fit parameter for all reflections included in the refinement: 0.809
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No