Information card for entry 1544416

Structure parameters

• Common name: 0334-107-3
• Chemical name: zuckermann31
• Formula: C22 H26 N2 O2
• Calculated formula: C22 H26 N2 O2
• SMILES: C1(=O)CN(C(=O)CN1CCc1cccc(c1)C)CCc1cccc(c1)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: 6.2924 ± 0.0003 Å
• b: 7.7144 ± 0.0004 Å
• c: 38.6461 ± 0.0019 Å
• α: 90°
• β: 93.863 ± 0.003°
• γ: 90°
• Cell volume: 1871.7 ± 0.16 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: 0.1726
• Residual factor for significantly intense reflections: 0.1624
• Weighted residual factors for significantly intense reflections: 0.3973
• Weighted residual factors for all reflections included in the refinement: 0.402
• Goodness-of-fit parameter for all reflections included in the refinement: 1.142
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No