Information card for entry 2211611

Structure parameters

• Chemical name: N,N'-Diphenylguanidinium 8-hydroxyquinoline-5-sulfonate
• Formula: C22 H20 N4 O4 S
• Calculated formula: C22 H20 N4 O4 S
• SMILES: S(=O)(=O)(c1ccc(c2ncccc12)O)[O-].N(C(=[NH2+])Nc1ccccc1)c1ccccc1
• Title of publication: <i>N</i>,<i>N</i>'-Diphenylguanidinium 8-hydroxyquinoline-5-sulfonate
• Authors of publication: Pereira Silva, P. S.; Ramos Silva, M.; Matos Beja, A.; Paixão, J. A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: o5913 - o5915
• a: 8.797 ± 0.002 Å
• b: 16.88 ± 0.002 Å
• c: 28.145 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4179.3 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1016
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1224
• Weighted residual factors for all reflections included in the refinement: 0.1477
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes