Information card for entry 4111687

Structure parameters

• Formula: C30 H30 N4 O4 S2
• Calculated formula: C30 H30 N4 O4 S2
• SMILES: S(=O)(=O)(Nc1ccccc1NS(=O)(=O)c1cccc2c1cccc2N(C)C)c1cccc2c1cccc2N(C)C
• Title of publication: Fluorescent Sensing and Selective Pb(II) Extraction by a Dansylamide Ion-Exchanger
• Authors of publication: Konstantinos Kavallieratos; Jay M. Rosenberg; Wei-Zhong Chen; Tong Ren
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• Journal volume: 127
• Pages of publication: 6514 - 6515
• a: 11.315 ± 0.0006 Å
• b: 11.7401 ± 0.0007 Å
• c: 11.9111 ± 0.0007 Å
• α: 81.072 ± 0.001°
• β: 70.858 ± 0.001°
• γ: 71.09 ± 0.001°
• Cell volume: 1411.98 ± 0.14 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 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: 0.0584
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.0996
• Weighted residual factors for all reflections included in the refinement: 0.1063
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No