Information card for entry 1549919

Structure parameters

• Formula: C23 H16 N4 O S
• Calculated formula: C23 H16 N4 O S
• SMILES: S1c2ccccc2Nc2c1ccc(c2)C(=C(C#N)C#N)\C=C\c1ccncc1.O
• 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: 7.8612 ± 0.0003 Å
• b: 9.8518 ± 0.0005 Å
• c: 27.1605 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2103.5 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.15 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0615
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.1558
• Weighted residual factors for all reflections included in the refinement: 0.1638
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No