Information card for entry 7101028

Structure parameters

• Formula: C22 H32 N2 O6 S2
• Calculated formula: C22 H32 N2 O6 S2
• SMILES: S(=O)(=O)([O-])c1cc2cc3ccc(S(=O)(=O)[O-])cc3cc2cc1.[NH3+]CCCC.[NH3+]CCCC
• Journal of publication: Chemical Communications
• Year of publication: 2006
• a: 5.65 ± 0.001 Å
• b: 14.764 ± 0.002 Å
• c: 29.267 ± 0.005 Å
• α: 90°
• β: 94.34 ± 0.01°
• γ: 90°
• Cell volume: 2434.4 ± 0.7 ų
• Cell temperature: 213.2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No