Information card for entry 2220662

Structure parameters

• Chemical name: <i>N</i>,<i>N</i>'-(2,2'-Dithiodi-o-phenylene)bis(furan-2-carboxamide)
• Formula: C22 H16 N2 O4 S2
• Calculated formula: C22 H16 N2 O4 S2
• SMILES: c1(ccccc1NC(=O)c1ccco1)SSc1c(cccc1)NC(=O)c1ccco1
• Title of publication: <i>N</i>,<i>N</i>'-(2,2'-Dithiodi-<i>o</i>-phenylene)bis(furan-2-carboxamide)
• Authors of publication: Raftery, James; Lallbeeharry, Hiteyeshi; Bhowon, Minu G.; Laulloo, Sabina J.; Joule, John A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 1
• Pages of publication: o16
• a: 9.6173 ± 0.0011 Å
• b: 9.921 ± 0.0011 Å
• c: 11.9906 ± 0.0014 Å
• α: 109.77 ± 0.002°
• β: 103.748 ± 0.002°
• γ: 104.643 ± 0.002°
• Cell volume: 973.84 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.063
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.0712
• Weighted residual factors for all reflections included in the refinement: 0.0761
• Goodness-of-fit parameter for all reflections included in the refinement: 0.834
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes