Information card for entry 7028462

Structure parameters

• Formula: C18 H19 N3 O S
• Calculated formula: C18 H19 N3 O S
• Title of publication: Al(3+) selective colorimetric and fluorescent red shifting chemosensor: application in living cell imaging.
• Authors of publication: Patil, Rahul; Moirangthem, Anuradha; Butcher, Ray; Singh, Narinder; Basu, Anupam; Tayade, Kundan; Fegade, Umesh; Hundiwale, Dilip; Kuwar, Anil
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 7
• Pages of publication: 2895 - 2899
• a: 7.19959 ± 0.00018 Å
• b: 21.7936 ± 0.0005 Å
• c: 10.1893 ± 0.0002 Å
• α: 90°
• β: 90.215 ± 0.002°
• γ: 90°
• Cell volume: 1598.74 ± 0.06 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.0414
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.0993
• Weighted residual factors for all reflections included in the refinement: 0.1022
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No