Information card for entry 1549920

Structure parameters

• Formula: C17 H10 N3 S2
• Calculated formula: C17 H11 N3 S2
• SMILES: c1cccc2c1Nc1c(ccc(c1)c1c(C#N)c(N)sc1)S2
• Title of publication: Reductive cleavage of C[double bond, length as m-dash]C bonds as a new strategy for turn-on dual fluorescence in effective sensing of H₂S.
• Authors of publication: Wang, Chunfei; Cheng, Xiaoxiang; Tan, Jingyun; Ding, Zhaoyang; Wang, Wenjing; Yuan, Daqiang; Li, Gang; Zhang, Hongjie; Zhang, Xuanjun
• Journal of publication: Chemical science
• Year of publication: 2018
• Journal volume: 9
• Journal issue: 44
• Pages of publication: 8369 - 8374
• a: 8.7916 ± 0.0002 Å
• b: 5.6255 ± 0.0001 Å
• c: 14.7562 ± 0.0003 Å
• α: 90°
• β: 95.407 ± 0.002°
• γ: 90°
• Cell volume: 726.55 ± 0.03 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0329
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.0814
• Weighted residual factors for all reflections included in the refinement: 0.0834
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No