Information card for entry 2223853

Structure parameters

• Common name: (<i>RSS</i>)-[<i>N</i>-Hydroxyethyloxy]-hexafluoroVal‒MeLeu‒Ala <i>tert</i>-butyl ester
• Chemical name: (2<i>S</i>,5<i>S</i>,8<i>R</i>)-<i>tert</i>-butyl 8-(1,1,1,3,3,3-hexafluoropropan-2-yl)-12-hydroxy-5-isobutyl-2,6-dimethyl- 4,7-dioxo-10-oxa-3,6,9-triazadodecanoate
• Formula: C21 H35 F6 N3 O6
• Calculated formula: C21 H35 F6 N3 O6
• Title of publication: (<i>RSS</i>)-[<i>N</i>-Hydroxyethyloxy]-hexafluoroVal‒MeLeu‒Ala <i>tert</i>-butyl ester
• Authors of publication: Eberle, Marcel K.; Stoeckli-Evans, Helen; Keese, Reinhart
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: o2900
• a: 11.1608 ± 0.0007 Å
• b: 11.2088 ± 0.0007 Å
• c: 21.2562 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2659.1 ± 0.3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.084
• Residual factor for significantly intense reflections: 0.0769
• Weighted residual factors for significantly intense reflections: 0.1981
• Weighted residual factors for all reflections included in the refinement: 0.2012
• Goodness-of-fit parameter for all reflections included in the refinement: 1.136
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes