Information card for entry 7717035

Structure parameters

• Formula: C14 H14 Br N3 O2 S
• Calculated formula: C14 H14 Br N3 O2 S
• Title of publication: Fluorophore-quencher complexes (Cu²⁺/Al³⁺) of coumarin Schiff bases as chemosensors for the detection of L-glutamic acid and L-arginine: <i>in vitro</i> and <i>in vivo</i> studies.
• Authors of publication: Ranjani, M.; Thiruppathi, G. A.; Keerthana, V.; Ramya, M.; Kalaivani, P.; Selvakumar, S.; Shankar, R.; Srinivasan, K.; Sundararaj, P.; Prabhakaran, R.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 41
• Pages of publication: 16941 - 16955
• a: 8.054 ± 0.0019 Å
• b: 10.596 ± 0.002 Å
• c: 10.613 ± 0.003 Å
• α: 104.764 ± 0.006°
• β: 109.118 ± 0.006°
• γ: 106.152 ± 0.006°
• Cell volume: 759.9 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0688
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for significantly intense reflections: 0.1371
• Weighted residual factors for all reflections included in the refinement: 0.1509
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No