Information card for entry 2232431

Structure parameters

• Chemical name: <i>tert</i>-Butyl (2<i>S</i>)-2-{3-[(<i>R</i>)-bis(<i>tert</i>- butoxycarbonyl)amino]-2-oxopiperidin-1-yl}-3-methylbutanoate
• Formula: C24 H42 N2 O7
• Calculated formula: C24 H42 N2 O7
• SMILES: C1(=O)[C@@H](CCCN1[C@@H](C(C)C)C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
• Title of publication: <i>tert</i>-Butyl (2<i>S</i>)-2-{3-[(<i>R</i>)-bis(<i>tert</i>-butoxycarbonyl)amino]-2-oxopiperidin-1-yl}-3-methylbutanoate
• Authors of publication: Kangas, Michael J.; Fronczek, Frank R.; Watkins, Steven F.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 11
• Pages of publication: o3057
• a: 27.282 ± 0.003 Å
• b: 9.4315 ± 0.001 Å
• c: 11.5884 ± 0.001 Å
• α: 90°
• β: 110.729 ± 0.001°
• γ: 90°
• Cell volume: 2788.8 ± 0.5 ų
• Cell temperature: 86 ± 0.5 K
• Ambient diffraction temperature: 86 ± 0.5 K
• Cell measurement pressure: 101.3 kPa
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0265
• Residual factor for significantly intense reflections: 0.0262
• Weighted residual factors for significantly intense reflections: 0.0704
• Weighted residual factors for all reflections included in the refinement: 0.0707
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes