Information card for entry 1548909

Structure parameters

• Formula: C31 H20 N2 O
• Calculated formula: C31 H20 N2 O
• SMILES: N(/N=C/c1c2c3c4c(cc2)cccc4ccc3cc1)=C(/C(=O)c1ccccc1)c1ccccc1
• Title of publication: A novel pyrene based highly selective reversible fluorescent-colorimetric sensor for the rapid detection of Cu2+ ions: application in bio-imaging
• Authors of publication: Ghorai, Anupam; Mondal, Jahangir; Manna, Amit Kumar; Chowdhury, Shubhamoy; Patra, Goutam K.
• Journal of publication: Analytical Methods
• Year of publication: 2018
• Journal volume: 10
• Journal issue: 9
• Pages of publication: 1063
• a: 19.68 ± 0.03 Å
• b: 10.006 ± 0.014 Å
• c: 11.85 ± 0.016 Å
• α: 90°
• β: 101.871 ± 0.016°
• γ: 90°
• Cell volume: 2284 ± 6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.3118
• Residual factor for significantly intense reflections: 0.0838
• Weighted residual factors for significantly intense reflections: 0.1829
• Weighted residual factors for all reflections included in the refinement: 0.3095
• Goodness-of-fit parameter for all reflections included in the refinement: 0.934
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No