Information card for entry 7127405

Structure parameters

• Formula: C68 H57 N9 O4 S
• Calculated formula: C68 H57 N9 O4 S
• SMILES: S(=O)(C)C.O=C(N/N=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1cc(cc(c1)C(=O)N/N=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1)C(=O)N/N=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1
• Title of publication: Multifunctional properties of a star-shaped triphenylamine-benzene-1,3,5-tricarbohydrazide fluorescent molecule containing multiple flexible chains.
• Authors of publication: Feng, Xin; Chen, Yating; Lei, Yunxiang; Zhou, Yunbing; Gao, Wenxia; Liu, Miaochang; Huang, Xiaobo; Wu, Huayue
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 88
• Pages of publication: 13638 - 13641
• a: 8.967 ± 0.0017 Å
• b: 16.6 ± 0.003 Å
• c: 20.124 ± 0.004 Å
• α: 79.369 ± 0.005°
• β: 86.581 ± 0.005°
• γ: 89.896 ± 0.005°
• Cell volume: 2938.7 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.1919
• Residual factor for significantly intense reflections: 0.1122
• Weighted residual factors for significantly intense reflections: 0.2699
• Weighted residual factors for all reflections included in the refinement: 0.3145
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No