Information card for entry 7105073

Structure parameters

• Formula: C17 H10 F3 N O3
• Calculated formula: C17 H10 F3 N O3
• SMILES: c1(c(cccc1)/C=N/c1cc2c(c(cc(=O)o2)C(F)(F)F)cc1)O
• Title of publication: Fluorescence turn-on sensors for HSO4-.
• Authors of publication: Kim, Hyun Jung; Bhuniya, Sankarprasad; Mahajan, Rakesh Kumar; Puri, Rajiv; Liu, Hongguang; Ko, Kyoung Chul; Lee, Jin Yong; Kim, Jong Seung
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal issue: 46
• Pages of publication: 7128 - 7130
• a: 9.855 ± 0.002 Å
• b: 5.428 ± 0.0011 Å
• c: 26.716 ± 0.005 Å
• α: 90°
• β: 91.02 ± 0.03°
• γ: 90°
• Cell volume: 1428.9 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.1446
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.1193
• Weighted residual factors for all reflections included in the refinement: 0.1541
• Goodness-of-fit parameter for all reflections included in the refinement: 0.925
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No