Information card for entry 1558693

Structure parameters

• Formula: C25 H23 N5 O3
• Calculated formula: C25 H23 N5 O3
• SMILES: c1c(COc2cccc3c2nccc3)nnn1c1c(=O)oc2c(c1)ccc(c2)N(CC)CC
• Title of publication: Unusual absence of FRET in triazole bridged coumarin-hydroxyquinoline, an active sensor for Hg2+ detection.
• Authors of publication: Mondal, Surajit; Patra, Niladri; Nayek, Hari Pada; Hira, Sumit K.; Chatterjee, Soumit; Dey, Swapan
• Journal of publication: Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology
• Year of publication: 2020
• Journal volume: 19
• Journal issue: 9
• Pages of publication: 1211 - 1221
• a: 9.6779 ± 0.0008 Å
• b: 10.4548 ± 0.001 Å
• c: 12.1262 ± 0.001 Å
• α: 112.874 ± 0.009°
• β: 91.882 ± 0.007°
• γ: 103.594 ± 0.007°
• Cell volume: 1088.16 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0977
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.1163
• Weighted residual factors for all reflections included in the refinement: 0.1334
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No