Information card for entry 1503611

Structure parameters

• Formula: C28 H27 N3 O3
• Calculated formula: C28 H27 N3 O3
• SMILES: O=C(N)CN(C(=O)CN(C(=O)C)c1cccc2c1cccc2)[C@@H](C)c1cccc2c1cccc2
• 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: 12.7522 ± 0.0009 Å
• b: 7.1242 ± 0.0005 Å
• c: 13.8104 ± 0.001 Å
• α: 90°
• β: 110.072 ± 0.001°
• γ: 90°
• Cell volume: 1178.46 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0465
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0786
• Weighted residual factors for all reflections included in the refinement: 0.084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No