Information card for entry 4022605

Structure parameters

• Formula: C20 H16 N2 O3 S
• Calculated formula: C20 H16 N2 O3 S
• SMILES: S(=O)(=O)(Nc1c(c2oc3c(n2)cccc3)cccc1)c1ccc(cc1)C
• Title of publication: Fluorescence Sensing of Anions Based on Inhibition of Excited-State Intramolecular Proton Transfer
• Authors of publication: Yunkou Wu; Xiaojun Peng; Jiangli Fan; Shang Gao; Maozhong Tian; Jianzhang Zhao; Shiguo Sun
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2007
• Journal volume: 72
• Pages of publication: 62 - 70
• a: 8.339 ± 0.006 Å
• b: 9.815 ± 0.007 Å
• c: 11.245 ± 0.008 Å
• α: 74.619 ± 0.009°
• β: 87.713 ± 0.01°
• γ: 80.552 ± 0.01°
• Cell volume: 875.3 ± 1.1 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0392
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0996
• Weighted residual factors for all reflections included in the refinement: 0.1024
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No