Information card for entry 1544418

Structure parameters

• Common name: 383_35
• Chemical name: zuckermann27
• Formula: C20 H21 Cl N2 O2
• Calculated formula: C20 H21 Cl N2 O2
• 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: 19.5375 ± 0.0004 Å
• b: 5.7715 ± 0.0001 Å
• c: 8.0452 ± 0.0002 Å
• α: 90°
• β: 91.793 ± 0.001°
• γ: 90°
• Cell volume: 906.74 ± 0.03 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• 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: 0.0607
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.1153
• Weighted residual factors for all reflections included in the refinement: 0.1235
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No