Information card for entry 2002098

Structure parameters

• Formula: C14 H25 N O4 S2
• Calculated formula: C14 H25 N O4 S2
• SMILES: S=C(N(C)C)SC[C@H]1OC(O[C@@H]1[C@@H]1COC(O1)(C)C)(C)C
• Title of publication: Désoxy-l <i>N</i>,<i>N</i>-diméthyldithiocarbamoyl-1 di-<i>O</i>-isopropylidène-2,3:4,5 xylitol
• Authors of publication: Rodier, N.; Khodadad, P.; Postel, D.; Villa, P.; Ronco, G.; Julien, R.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 1
• Pages of publication: 159 - 161
• a: 5.6878 ± 0.0008 Å
• b: 11.65 ± 0.002 Å
• c: 26.21 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1736.7 ± 0.4 ų
• Cell temperature: 294 K
• Number of distinct elements: 5
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.036
• Goodness-of-fit parameter for significantly intense reflections: 1.295
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No