Information card for entry 7239276

Structure parameters

• Formula: C18 H15 F3 N2 O4 S
• Calculated formula: C18 H15 F3 N2 O4 S
• Title of publication: Fluorescent anion sensing by bisquinolinium pyridine-2,6-dicarboxamide receptors in water
• Authors of publication: Dorazco-González, Alejandro; Alamo, Marcos Flores; Godoy-Alcántar, Carolina; Höpfl, Herbert; Yatsimirsky, Anatoly K.
• Journal of publication: RSC Adv.
• Year of publication: 2014
• Journal volume: 4
• Journal issue: 1
• Pages of publication: 455
• a: 8.454 ± 0.0003 Å
• b: 15.135 ± 0.0005 Å
• c: 14.548 ± 0.0005 Å
• α: 90°
• β: 104.356 ± 0.003°
• γ: 90°
• Cell volume: 1803.31 ± 0.11 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• 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: 0.0568
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.1416
• Weighted residual factors for all reflections included in the refinement: 0.1501
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No