Information card for entry 2021944

Structure parameters

• Chemical name: (<i>S</i>)-Pms-Acp-(<i>S</i>)-Pms-Acp-(<i>S</i>)-Pms-Acp-NMe~2~
• Formula: C49 H61 N5 O9
• Calculated formula: C49 H61 N5 O9
• Title of publication: Solid-state conformations of linear depsipeptide amides with an alternating sequence of α,α-disubstituted α-amino acid and α-hydroxy acid
• Authors of publication: Linden, Anthony; Magirius, J. E. Florian; Heimgartner, Heinz
• Journal of publication: Acta Crystallographica Section C Structural Chemistry
• Year of publication: 2019
• Journal volume: 76
• Journal issue: 1
• Pages of publication: 1
• a: 10.645 ± 0.003 Å
• b: 19.161 ± 0.009 Å
• c: 11.503 ± 0.003 Å
• α: 90°
• β: 93.75 ± 0.02°
• γ: 90°
• Cell volume: 2341.2 ± 1.4 ų
• Cell temperature: 173 ± 1 K
• Ambient diffraction temperature: 173 ± 1 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: 0.1376
• Residual factor for significantly intense reflections: 0.0754
• Weighted residual factors for significantly intense reflections: 0.1893
• Weighted residual factors for all reflections included in the refinement: 0.2175
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes