Information card for entry 4339005

Structure parameters

• Formula: C32 H26 N6 O4 S2
• Calculated formula: C32 H26 N6 O4 S2
• SMILES: S(=O)(=O)(Nc1cc2nc(c(nc2cc1NS(=O)(=O)c1ccc(cc1)C)c1ncccc1)c1ncccc1)c1ccc(cc1)C
• Title of publication: Synthesis, photophysical, and anion-sensing properties of quinoxalinebis(sulfonamide) functionalized receptors and their metal complexes.
• Authors of publication: Lin, Tzu-Pin; Chen, Chan-Yu; Wen, Yuh-Sheng; Sun, Shih-Sheng
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 22
• Pages of publication: 9201 - 9212
• a: 15.49 ± 0.0006 Å
• b: 24.4301 ± 0.001 Å
• c: 19.927 ± 0.0008 Å
• α: 90°
• β: 93.187 ± 0.002°
• γ: 90°
• Cell volume: 7529.2 ± 0.5 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 5
• 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: 0.0929
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.1236
• Weighted residual factors for all reflections included in the refinement: 0.1321
• Goodness-of-fit parameter for all reflections included in the refinement: 0.952
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No