Information card for entry 2021947

Structure parameters

• Chemical name: (<i>R</i>,<i>S</i>)-Mns-Acp-(<i>S</i>,<i>R</i>)-Mns-Acp-NMe~2~
• Formula: C30 H37 N3 O6
• Calculated formula: C30 H37 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: 18.922 ± 0.005 Å
• b: 18.3 ± 0.003 Å
• c: 8.072 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2795 ± 2 ų
• Cell temperature: 173 ± 1 K
• Ambient diffraction temperature: 173 ± 1 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.1567
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for significantly intense reflections: 0.1245
• Weighted residual factors for all reflections included in the refinement: 0.1609
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes