Information card for entry 1503612

Structure parameters

• Formula: C56 H52 N6 O6.35
• Calculated formula: C56 H52 N6 O6.352
• Title of publication: N-naphthyl peptoid foldamers exhibiting atropisomerism.
• Authors of publication: Paul, Bishwajit; Butterfoss, Glenn L.; Boswell, Mikki G.; Huang, Mia L.; Bonneau, Richard; Wolf, Christian; Kirshenbaum, Kent
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 3
• Pages of publication: 926 - 929
• a: 11.2179 ± 0.0013 Å
• b: 9.3563 ± 0.0011 Å
• c: 23.908 ± 0.003 Å
• α: 90°
• β: 102.239 ± 0.002°
• γ: 90°
• Cell volume: 2452.3 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1017
• Residual factor for significantly intense reflections: 0.091
• Weighted residual factors for significantly intense reflections: 0.2358
• Weighted residual factors for all reflections included in the refinement: 0.2416
• 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