Information card for entry 2205209

Structure parameters

• Chemical name: (3R,5S)-1-Benzyl 2-tert-butyl 4-[N,N'-bis(tert-butyloxycarbonyl)hydrazino]-5-oxopyrrolidine-1,5-dicarboxylate
• Formula: C27 H39 N3 O9
• Calculated formula: C27 H39 N3 O9
• SMILES: O(Cc1ccccc1)C(=O)N1C(=O)[C@H](N(NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C[C@H]1C(=O)OC(C)(C)C
• Title of publication: (2<i>S</i>,4<i>R</i>)-1-Benzyl 2-<i>tert</i>-butyl 4-[<i>N</i>,<i>N</i>'-bis(<i>tert</i>-butyloxycarbonyl)hydrazino]-5-oxopyrrolidine-1,2-dicarboxylate
• Authors of publication: Krzysztof Kaczmarek; Wojciech M. Wolf; Janusz Zabrocki
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 3
• Pages of publication: o629 - o631
• a: 9.883 ± 0.002 Å
• b: 10.103 ± 0.002 Å
• c: 15.892 ± 0.002 Å
• α: 90°
• β: 106.59 ± 0.01°
• γ: 90°
• Cell volume: 1520.7 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1419
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.1154
• Weighted residual factors for all reflections included in the refinement: 0.1581
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No