Information card for entry 7241171

Structure parameters

• Formula: C42 H78 N6 O6
• Calculated formula: C42 H78 N6 O6
• Title of publication: Cyclic hexapeptoids with N-alkyl side chains: solid-state assembly and thermal behaviour
• Authors of publication: Pierri, Giovanni; SCHETTINI, ROSARIA; Nuss, Juergen; Dinnebier, Robert E.; De Riccardis, Francesco; Izzo, Irene; Tedesco, Consiglia
• Journal of publication: CrystEngComm
• Year of publication: 2020
• a: 11.3089 ± 0.0017 Å
• b: 15.195 ± 0.002 Å
• c: 26.307 ± 0.004 Å
• α: 90°
• β: 97.4256 ± 0.0018°
• γ: 90°
• Cell volume: 4482.7 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0759
• Residual factor for significantly intense reflections: 0.064
• Weighted residual factors for significantly intense reflections: 0.1736
• Weighted residual factors for all reflections included in the refinement: 0.1832
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No