Information card for entry 4511057

Structure parameters

• Formula: C24 H20 N4 O8 S4
• Calculated formula: C24 H20 N4 O8 S4
• SMILES: c1c2cccc1S(=O)(=O)Nc1cc(ccc1)S(=O)(=O)Nc1cc(ccc1)S(=O)(=O)Nc1cc(ccc1)S(=O)(=O)N2
• Title of publication: Pseudopolymorph and Infinite Hydrogen Bonding Network of Cyclic Oligomers ofm-Aminobenzenesulfonic Acid
• Authors of publication: Katagiri, Kosuke; Kato, Takako; Masu, Hyuma; Tominaga, Masahide; Azumaya, Isao
• Journal of publication: Crystal Growth & Design
• Year of publication: 2009
• Journal volume: 9
• Journal issue: 3
• Pages of publication: 1519
• a: 15.269 ± 0.012 Å
• b: 15.269 ± 0.012 Å
• c: 21.613 ± 0.018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5039 ± 7 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 5
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.1524
• Residual factor for significantly intense reflections: 0.1098
• Weighted residual factors for significantly intense reflections: 0.2342
• Weighted residual factors for all reflections included in the refinement: 0.2665
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No