Information card for entry 7054298

Structure parameters

• Formula: C23 H24 N4 O3 S
• Calculated formula: C23 H24 N4 O3 S
• SMILES: S(=O)(=O)(NC1C(=O)N(N(C)C=1C)c1ccccc1)c1c2c(c(N(C)C)ccc2)ccc1
• Title of publication: Dansyl‒antipyrine dyad as a fluorescent sensor for Cu2+ and F−: sequential XNOR logic operation
• Authors of publication: Luxami, Vijay; Gupta, Akul Sen; Paul, Kamaldeep
• Journal of publication: New Journal of Chemistry
• Year of publication: 2014
• Journal volume: 38
• Journal issue: 7
• Pages of publication: 2841
• a: 7.7031 ± 0.0007 Å
• b: 17.8226 ± 0.0019 Å
• c: 16.0433 ± 0.0016 Å
• α: 90°
• β: 90.717 ± 0.006°
• γ: 90°
• Cell volume: 2202.4 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0788
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.1019
• Weighted residual factors for all reflections included in the refinement: 0.1196
• Goodness-of-fit parameter for all reflections included in the refinement: 0.971
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No