Information card for entry 4106409

Structure parameters

• Formula: C18 H17 I N2 O4
• Calculated formula: C18 H17 I N2 O4
• Title of publication: Peptoid Atropisomers
• Authors of publication: Bishwajit Paul; Glenn L. Butterfoss; Mikki G. Boswell; P. Douglas Renfrew; Fanny G. Yeung; Neel H. Shah; Christian Wolf; Richard Bonneau; Kent Kirshenbaum
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 10910 - 10919
• a: 7.9952 ± 0.0002 Å
• b: 8.7279 ± 0.0003 Å
• c: 12.715 ± 0.001 Å
• α: 93.2104 ± 0.001°
• β: 94.7131 ± 0.001°
• γ: 97.9838 ± 0.0005°
• Cell volume: 873.65 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0194
• Residual factor for significantly intense reflections: 0.018
• Weighted residual factors for significantly intense reflections: 0.0426
• Weighted residual factors for all reflections included in the refinement: 0.0432
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No