Information card for entry 1544422

Structure parameters

• Common name: 0334-107-2
• Chemical name: zuckermann30
• Formula: C22 H26 N2 O2
• Calculated formula: C22 H26 N2 O2
• SMILES: O=C1N(CC(=O)N(C1)CCc1ccccc1C)CCc1ccccc1C
• Title of publication: Molecular Engineering of the Peptoid Nanosheet Hydrophobic Core.
• Authors of publication: Robertson, Ellen J.; Proulx, Caroline; Su, Jessica K.; Garcia, Rita L.; Yoo, Stan; Nehls, Eric M.; Connolly, Michael D.; Taravati, Laudann; Zuckermann, Ronald N.
• Journal of publication: Langmuir : the ACS journal of surfaces and colloids
• Year of publication: 2016
• Journal volume: 32
• Journal issue: 45
• Pages of publication: 11946
• a: 11.3119 ± 0.0002 Å
• b: 7.3309 ± 0.0002 Å
• c: 22.1215 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1834.46 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0583
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.0982
• Weighted residual factors for all reflections included in the refinement: 0.1082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No