Information card for entry 2021946

Structure parameters

• Chemical name: (<i>S</i>,<i>R</i>)-Pms-Acp-(<i>R</i>,<i>S</i>)-Pms-Acp-NMe~2~/(<i>R</i>,<i>S</i>)-Pms-Acp-(<i>R</i>,<i>S</i>)-Pms-Acp-NMe~2~ (1:1)
• Formula: C32 H41 N3 O6
• Calculated formula: C32 H41 N3 O6
• 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: 9.937 ± 0.005 Å
• b: 18.319 ± 0.007 Å
• c: 16.436 ± 0.003 Å
• α: 90°
• β: 90.19 ± 0.03°
• γ: 90°
• Cell volume: 2992 ± 2 ų
• Cell temperature: 173 ± 1 K
• Ambient diffraction temperature: 173 ± 1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1365
• Residual factor for significantly intense reflections: 0.0695
• Weighted residual factors for significantly intense reflections: 0.174
• Weighted residual factors for all reflections included in the refinement: 0.2045
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes