Information card for entry 7241597

Structure parameters

• Formula: C23 H22 F N3
• Calculated formula: C23 H22 F N3
• SMILES: c1(ccccc1)N1[C@@H](c2ccc(cc2)F)CC(c2ccc(cc2)N(C)C)=N1
• Title of publication: High dual-state blue emission of a functionalized pyrazoline derivative for picric acid detection
• Authors of publication: Guo, Shengmei; Zhang, Yuyang; Huang, Jianyan; Kong, Lin; Yang, Jiaxiang
• Journal of publication: CrystEngComm
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 1
• Pages of publication: 221 - 226
• a: 5.896 ± 0.0012 Å
• b: 8.913 ± 0.0018 Å
• c: 36.162 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1900.4 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0759
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.1056
• Weighted residual factors for all reflections included in the refinement: 0.1131
• Goodness-of-fit parameter for all reflections included in the refinement: 1.124
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No