Information card for entry 4339006

Structure parameters

• Formula: C34 H26 N4 O4 S2
• Calculated formula: C34 H26 N4 O4 S2
• SMILES: S(=O)(=O)(Nc1cc2nc3c4ccccc4c4ccccc4c3nc2cc1NS(=O)(=O)c1ccc(cc1)C)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: 10.431 ± 0.0002 Å
• b: 11.9439 ± 0.0003 Å
• c: 14.7268 ± 0.0003 Å
• α: 100.209 ± 0.001°
• β: 98.885 ± 0.001°
• γ: 108.095 ± 0.001°
• Cell volume: 1672.82 ± 0.06 ų
• Cell temperature: 295 ± 0.2 K
• Ambient diffraction temperature: 295 ± 0.2 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: 0.0629
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.0957
• Weighted residual factors for all reflections included in the refinement: 0.0988
• Goodness-of-fit parameter for all reflections included in the refinement: 0.938
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No