Information card for entry 7236955

Structure parameters

• Formula: C17 H16 F N O3
• Calculated formula: C17 H16 F N O3
• Title of publication: Tuning the organic microcrystal laser wavelength of ESIPT-active compounds via controlling the excited enol* and keto* emissions
• Authors of publication: Li, Jinbiao; Wu, Yishi; Xu, Zhenzhen; Liao, Qing; Zhang, Haihua; Zhang, Yi; Xiao, Lu; Yao, Jiannian; Fu, Hongbing
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2017
• Journal volume: 5
• Journal issue: 46
• Pages of publication: 12235
• a: 11.931 ± 0.004 Å
• b: 10.515 ± 0.003 Å
• c: 12.71 ± 0.005 Å
• α: 90°
• β: 117.644 ± 0.004°
• γ: 90°
• Cell volume: 1412.5 ± 0.8 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0568
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.1207
• Weighted residual factors for all reflections included in the refinement: 0.1233
• Goodness-of-fit parameter for all reflections included in the refinement: 1.176
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No