Information card for entry 7106321

Structure parameters

• Formula: C15 H17 N3 O6
• Calculated formula: C15 H17 N3 O6
• Title of publication: A coumarin-based fluorescent probe for Hg2+ and Ag+ with an N'-acetylthioureido group as a fluorescence switch
• Authors of publication: Koji Tsukamoto; Yuka Shinohara; Shogo Iwasaki; Hatsuo Maeda
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 5073
• a: 6.2937 ± 0.0007 Å
• b: 18.5171 ± 0.0021 Å
• c: 13.7626 ± 0.0016 Å
• α: 90°
• β: 101.902 ± 0.006°
• γ: 90°
• Cell volume: 1569.4 ± 0.3 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 K
• Number of distinct elements: 4
• 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: 0.0645
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.1203
• Weighted residual factors for all reflections included in the refinement: 0.1379
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No