Information card for entry 1557818

Structure parameters

• Formula: C23 H25 Br N4 O3
• Calculated formula: C23 H25 Br N4 O3
• SMILES: [Br-].O=C1/C(=C\Nc2c3ncccc3ccc2)C=CC(=C1)OCCC[n+]1ccn(c1)C.O
• Title of publication: Exploration of fluorescence behavior of an imidazolium-based chemosensor in solution and in the solid state and its turn-on response to Al³⁺ in pure aqueous medium.
• Authors of publication: Saini, Vaishali; Krishnan, Rangan; Khungar, Bharti
• 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: 7
• Pages of publication: 931 - 942
• a: 9.278 ± 0.0003 Å
• b: 10.9501 ± 0.0002 Å
• c: 11.6256 ± 0.0003 Å
• α: 87.339 ± 0.002°
• β: 68.312 ± 0.002°
• γ: 88.577 ± 0.002°
• Cell volume: 1096.27 ± 0.05 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0264
• Residual factor for significantly intense reflections: 0.0224
• Weighted residual factors for significantly intense reflections: 0.0566
• Weighted residual factors for all reflections included in the refinement: 0.0582
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No