Information card for entry 2200023

Structure parameters

• Common name: oxazolidine disulfide
• Chemical name: R,R-(+)-Bis[(3-benzyloxazolan-4-yl)methyl] disulfide
• Formula: C22 H28 N2 O2 S2
• Calculated formula: C22 H28 N2 O2 S2
• SMILES: O1C[C@@H](N(C1)Cc1ccccc1)CSSC[C@H]1COCN1Cc1ccccc1
• Title of publication: <i>R</i>,<i>R</i>-(+)-Bis[(3-benzyloxazolan-4-yl)methyl] disulfide
• Authors of publication: Schulz Lang, Ernesto; Burrow, Robert A.; Braga, Antonio Luiz; Appelt, Helmoz Roseniaim; Schneider, Paulo Henrique; Silveira, Claudio Cruz; Wessjohann, Ludger A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 1
• Pages of publication: o41 - o42
• a: 20.281 ± 0.003 Å
• b: 8.925 ± 0.002 Å
• c: 6.053 ± 0.001 Å
• α: 90°
• β: 93.112 ± 0.012°
• γ: 90°
• Cell volume: 1094 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.066
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for all reflections included in the refinement: 0.087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes