Information card for entry 7035562

Structure parameters

• Formula: C33 H24 B N O S
• Calculated formula: C33 H24 B N O S
• SMILES: s1c2c([n]3c1C(=C(O[B]3(c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)cccc2
• 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: 10.9909 ± 0.0008 Å
• b: 9.095 ± 0.0007 Å
• c: 26.758 ± 0.002 Å
• α: 90°
• β: 99.025 ± 0.002°
• γ: 90°
• Cell volume: 2641.7 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• 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: 0.136
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.0945
• Weighted residual factors for all reflections included in the refinement: 0.1184
• Goodness-of-fit parameter for all reflections included in the refinement: 0.724
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No