Information card for entry 1508893

Structure parameters

• Formula: C98 H156 F24 N22 Na4 O27 P4
• Calculated formula: C98 H155.97 F24 N22 Na4 O27 P4
• Title of publication: Structural effects of proline substitution and metal binding on hexameric cyclic peptoids.
• Authors of publication: Izzo, Irene; Ianniello, Graziella; De Cola, Chiara; Nardone, Brunello; Erra, Loredana; Vaughan, Gavin; Tedesco, Consiglia; De Riccardis, Francesco
• Journal of publication: Organic letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 3
• Pages of publication: 598 - 601
• a: 16.382 ± 0.005 Å
• b: 16.382 ± 0.005 Å
• c: 39.89 ± 0.02 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 9271 ± 6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 146
• Hermann-Mauguin space group symbol: R 3 :H
• Hall space group symbol: R 3
• Residual factor for all reflections: 0.1481
• Residual factor for significantly intense reflections: 0.1436
• Weighted residual factors for significantly intense reflections: 0.4399
• Weighted residual factors for all reflections included in the refinement: 0.485
• Goodness-of-fit parameter for all reflections included in the refinement: 2.29
• Diffraction radiation wavelength: 0.3006 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No