Information card for entry 1515260

Structure parameters

• Formula: C104 H118 N22 O20
• Calculated formula: C104 H118 N22 O20
• Title of publication: Twice tied tight: Enforcing conformational order in bicyclic peptoid oligomers
• Authors of publication: Vollrath, Sidonie B. L.; Bräse, Stefan; Kirshenbaum, Kent
• Journal of publication: Chemical Science
• Year of publication: 2012
• Journal volume: 3
• Journal issue: 9
• Pages of publication: 2726
• a: 23.1428 ± 0.0013 Å
• b: 17.9913 ± 0.001 Å
• c: 27.126 ± 0.002 Å
• α: 90°
• β: 97.895 ± 0.001°
• γ: 90°
• Cell volume: 11187.4 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.1217
• Residual factor for significantly intense reflections: 0.0783
• Weighted residual factors for significantly intense reflections: 0.2038
• Weighted residual factors for all reflections included in the refinement: 0.218
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No