Information card for entry 7058908

Structure parameters

• Formula: C15 H14 N2 O3 S2
• Calculated formula: C15 H14 N2 O3 S2
• Title of publication: Naked-eye colorimetric sensor for methanol and ‘turn-on’ fluorescence detection of Al3+
• Authors of publication: Kumar, Virendra; Kundu, Subhankar; Bahadur, Sk; Patra, Abhijit
• Journal of publication: New Journal of Chemistry
• Year of publication: 2019
• a: 12.933 ± 0.0006 Å
• b: 8.4524 ± 0.0004 Å
• c: 14.8255 ± 0.0007 Å
• α: 90°
• β: 114.537 ± 0.002°
• γ: 90°
• Cell volume: 1474.29 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0965
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.0937
• Weighted residual factors for all reflections included in the refinement: 0.108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No