Information card for entry 1550643

Structure parameters

• Formula: C23 H17 N O S
• Calculated formula: C23 H17 N O S
• SMILES: s1c(C=O)ccc1c1ccc(N(c2ccccc2)c2ccccc2)cc1
• Title of publication: Facile synthesis of AIEgens with wide color tunability for cellular imaging and therapy
• Authors of publication: Xu, Wenhan; Lee, Michelle M. S.; Zhang, Zhihan; Sung, Herman H-Y.; Williams, Ian Duncan; Kwok, Ryan T. K.; Lam, Jacky Wing Yip; Wang, Dong; Tang, Ben Zhong
• Journal of publication: Chemical Science
• Year of publication: 2019
• a: 19.92637 ± 0.00017 Å
• b: 6.63771 ± 0.00005 Å
• c: 13.28322 ± 0.00011 Å
• α: 90°
• β: 96.4721 ± 0.0008°
• γ: 90°
• Cell volume: 1745.71 ± 0.02 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0363
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0988
• Weighted residual factors for all reflections included in the refinement: 0.0995
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No