Information card for entry 2012651

Structure parameters

• Common name: Tos-Aib-ONP~o~
• Chemical name: 2-nitrophenyl 2-methyl-2-(para-toluenesulfonylamino)propanoate
• Formula: C17 H18 N2 O6 S
• Calculated formula: C17 H18 N2 O6 S
• Title of publication: Reactive intermediates in peptide synthesis. <i>ortho</i>-Nitrophenyl <i>N</i>^{α^}-<i>para</i>-toluenesulfonyl-α-aminoisobutyrate
• Authors of publication: Crisma, Marco; Toniolo, Claudio
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 4
• Pages of publication: o215 - o217
• a: 36.449 ± 0.003 Å
• b: 9.082 ± 0.002 Å
• c: 11.636 ± 0.002 Å
• α: 90°
• β: 106.1 ± 0.07°
• γ: 90°
• Cell volume: 3700.8 ± 1.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.102
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.12
• Weighted residual factors for all reflections included in the refinement: 0.144
• Goodness-of-fit parameter for all reflections included in the refinement: 0.918
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes