Information card for entry 7120723

Structure parameters

• Formula: C35 H34.4 N O6.7 S
• Calculated formula: C35 H34.355 N O6.6775 S
• Title of publication: A highly selective fluorescence turn-on detection of ClO- with 1-methyl-1,2-dihydropyridine-2-thione unit modified tetraphenylethylene
• Authors of publication: Dong, Xiaobiao; Zhang, Guanxin; Shi, Jinbiao; Wang, Yuancheng; Wang, Ming; Peng, Qian; Zhang, Deqing
• Journal of publication: Chem. Commun.
• Year of publication: 2017
• a: 10.795 ± 0.002 Å
• b: 9.81 ± 0.002 Å
• c: 58.34 ± 0.013 Å
• α: 90°
• β: 90.622 ± 0.003°
• γ: 90°
• Cell volume: 6178 ± 2 ų
• Cell temperature: 173.15 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 5
• 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: 0.0821
• Residual factor for significantly intense reflections: 0.0702
• Weighted residual factors for significantly intense reflections: 0.1502
• Weighted residual factors for all reflections included in the refinement: 0.1575
• Goodness-of-fit parameter for all reflections included in the refinement: 1.126
• Diffraction radiation wavelength: 0.710747 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No