Information card for entry 1544421

Structure parameters

• Common name: JJ-2-53-#6
• Chemical name: zuckermann04
• Formula: C24 H30 N2 O2
• Calculated formula: C24 H30 N2 O2
• SMILES: O=C1N(CC(=O)N(C1)CCc1cc(ccc1C)C)CCc1cc(C)ccc1C
• 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: 36.811 ± 0.003 Å
• b: 6.3458 ± 0.0005 Å
• c: 8.754 ± 0.0007 Å
• α: 90°
• β: 97.952 ± 0.005°
• γ: 90°
• Cell volume: 2025.2 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0548
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.1632
• Weighted residual factors for all reflections included in the refinement: 0.1675
• Goodness-of-fit parameter for all reflections included in the refinement: 1.188
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No