Information card for entry 4033873

Structure parameters

• Formula: C161 H181.5 F12 N16.5 Na2 O18 P2
• Calculated formula: C161 H176 F12 N16.5 Na2 O18 P2
• Title of publication: Reverse Turn and Loop Secondary Structures in Stereodefined Cyclic Peptoid Scaffolds.
• Authors of publication: D'Amato, Assunta; Pierri, Giovanni; Tedesco, Consiglia; Della Sala, Giorgio; Izzo, Irene; Costabile, Chiara; De Riccardis, Francesco
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• Journal volume: 84
• Journal issue: 17
• Pages of publication: 10911 - 10928
• a: 20.141 ± 0.003 Å
• b: 20.141 ± 0.003 Å
• c: 10.316 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4184.8 ± 1.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 75
• Hermann-Mauguin space group symbol: P 4
• Hall space group symbol: P 4
• Residual factor for all reflections: 0.0577
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.1679
• Weighted residual factors for all reflections included in the refinement: 0.1707
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No