Information card for entry 1544420

Structure parameters

• Common name: 0334-84-03
• Chemical name: zuckermann29
• Formula: C22 H26 N2 O2
• Calculated formula: C22 H26 N2 O2
• SMILES: O=C1N(CC(=O)N(C1)CCc1ccc(cc1)C)CCc1ccc(cc1)C
• 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: 9.6897 ± 0.0011 Å
• b: 5.9729 ± 0.0007 Å
• c: 16.0765 ± 0.0017 Å
• α: 90°
• β: 90.997 ± 0.005°
• γ: 90°
• Cell volume: 930.3 ± 0.18 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0822
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.1202
• Weighted residual factors for all reflections included in the refinement: 0.138
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No