Information card for entry 2239735

Structure parameters

• Chemical name: Di-<i>tert</i>-butyl 1-[2-hydroxy-3-(methylsulfanyl)propyl]hydrazine-1,2-dicarboxylate
• Formula: C14 H28 N2 O5 S
• Calculated formula: C14 H28 N2 O5 S
• SMILES: CC(C)(C)OC(=O)NN(C(=O)OC(C)(C)C)CC(CSC)O
• Title of publication: Di-<i>tert</i>-butyl 1-[2-hydroxy-3-(methylsulfanyl)propyl]hydrazine-1,2-dicarboxylate
• Authors of publication: Bai, Xiao-Guang; Yang, Xiao-Yu; Wang, Ju-Xian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 8
• Pages of publication: o843
• a: 14.0172 ± 0.0003 Å
• b: 7.83649 ± 0.00015 Å
• c: 17.2076 ± 0.0003 Å
• α: 90°
• β: 103.772 ± 0.002°
• γ: 90°
• Cell volume: 1835.84 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0676
• Residual factor for significantly intense reflections: 0.0628
• Weighted residual factors for significantly intense reflections: 0.1814
• Weighted residual factors for all reflections included in the refinement: 0.187
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes