Information card for entry 7226087

Structure parameters

• Formula: C32 H30 N4 O6
• Calculated formula: C32 H30 N4 O6
• SMILES: C(\c1cc(c(c(c1)OC)O)OC)=N/N=C(C(\c1ccccc1)=N/N=C/c1cc(c(c(c1)OC)O)OC)/c1ccccc1
• Title of publication: A reversible fluorescent-colorimetric chemosensor based on a novel Schiff base for visual detection of CO32−in aqueous solution
• Authors of publication: Ghorai, Anupam; Mondal, Jahangir; Chandra, Rukmani; Patra, Goutam K.
• Journal of publication: RSC Adv.
• Year of publication: 2016
• Journal volume: 6
• Journal issue: 76
• Pages of publication: 72185
• a: 11.84 ± 0.005 Å
• b: 10.52 ± 0.005 Å
• c: 23.1 ± 0.005 Å
• α: 90 ± 0.005°
• β: 96.951 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 2856.1 ± 1.9 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: 0.1756
• Residual factor for significantly intense reflections: 0.0963
• Weighted residual factors for significantly intense reflections: 0.2211
• Weighted residual factors for all reflections included in the refinement: 0.286
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No