Information card for entry 2215431

Structure parameters

• Chemical name: Bis(triethylammonium) 4,4'-diamino-trans-stilbene-2,2'-disulfonate
• Formula: C26 H44 N4 O6 S2
• Calculated formula: C26 H44 N4 O6 S2
• SMILES: c1(cc(ccc1/C=C/c1c(cc(cc1)N)S(=O)(=O)[O-])N)S(=O)(=O)[O-].C(C)[NH+](CC)CC.C(C)[NH+](CC)CC
• Title of publication: Bis(triethylammonium) 4,4'-diamino-<i>trans</i>-stilbene-2,2'-disulfonate
• Authors of publication: Dufresne, Stéphane; Gaultois, Michael; Skene, W. G.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 10
• Pages of publication: o3926 - o3926
• a: 8.5117 ± 0.0004 Å
• b: 8.5273 ± 0.0004 Å
• c: 12.0711 ± 0.0005 Å
• α: 103.33 ± 0.002°
• β: 103.243 ± 0.002°
• γ: 106.142 ± 0.003°
• Cell volume: 777.6 ± 0.06 ų
• Cell temperature: 220 ± 2 K
• Ambient diffraction temperature: 220 ± 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: 0.053
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.1488
• Weighted residual factors for all reflections included in the refinement: 0.1504
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes