Information card for entry 2003466

Structure parameters

• Chemical name: N-N'-[1,1'-ditiobis(phenylene)]bis(5'-metoxy-salicylideneimine)
• Formula: C28 H24 N2 O4 S2
• Calculated formula: C28 H24 N2 O4 S2
• SMILES: COc1ccc(c(c1)/C=N/c1ccccc1SSc1ccccc1/N=C/c1cc(OC)ccc1O)O
• Title of publication: 4,4'-Dimethoxy-2,2'-[dithiobis(<i>o</i>-phenylenenitrilomethylidyne)]diphenol
• Authors of publication: Ruiz-Pérez, C.; González-Platas, J.; Rodríguez-Romero, F. V.; Gili, P.; Martín-Zarza, P.; Martín-Reyes, G.; Solans, X.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 5
• Pages of publication: 1016 - 1018
• a: 24.166 ± 0.003 Å
• b: 8.903 ± 0.003 Å
• c: 11.84 ± 0.003 Å
• α: 90°
• β: 95.074 ± 0.003°
• γ: 90°
• Cell volume: 2537.4 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.065
• Goodness-of-fit parameter for significantly intense reflections: 0.879
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No