Information card for entry 7111219

Structure parameters

• Formula: C21 H19 N3 O2 S
• Calculated formula: C21 H19 N3 O2 S
• SMILES: S(=O)(=O)(Nc1cccc2cccnc12)c1cccc2c(N(C)C)cccc12
• Title of publication: Novel zinc fluorescent probe bearing dansyl and aminoquinoline groupsElectronic supplementary information (ESI) available: NMR spectra and assignment, UV titration details, crystal structure and competitive fluorescent experiments of L. See http://www.rsc.org/suppdata/cc/b2/b202976f/
• Authors of publication: Jiang, Pengju; Chen, Lizhen; Lin, Jun; Liu, Qin; Ding, Jun; Gao, Xiang; Guo, Zijian
• Journal of publication: Chemical Communications
• Year of publication: 2002
• Journal issue: 13
• Pages of publication: 1424
• a: 8.397 ± 0.002 Å
• b: 13.967 ± 0.003 Å
• c: 15.759 ± 0.003 Å
• α: 90°
• β: 94.85 ± 0.03°
• γ: 90°
• Cell volume: 1841.6 ± 0.7 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.3398
• Residual factor for significantly intense reflections: 0.2483
• Weighted residual factors for significantly intense reflections: 0.5043
• Weighted residual factors for all reflections included in the refinement: 0.6205
• Goodness-of-fit parameter for all reflections included in the refinement: 2.85
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No