Information card for entry 4103503

Structure parameters

• Common name: JJ-2-30
• Chemical name: zuckermann01
• Formula: C20 H22 N2 O2
• Calculated formula: C20 H22 N2 O2
• SMILES: c1(ccccc1)CCN1C(=O)CN(CCc2ccccc2)C(=O)C1
• Title of publication: Hierarchical Self-Assembly of a Biomimetic Diblock Copolypeptoid into Homochiral Superhelices
• Authors of publication: Hannah K. Murnen; Adrianne M. Rosales; Jonathan N. Jaworski; Rachel A. Segalman; Ronald N. Zuckermann
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 16112 - 16119
• a: 36.805 ± 0.003 Å
• b: 5.7499 ± 0.0004 Å
• c: 7.9908 ± 0.0005 Å
• α: 90°
• β: 99.837 ± 0.003°
• γ: 90°
• Cell volume: 1666.2 ± 0.2 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: 0.0551
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.1452
• Weighted residual factors for all reflections included in the refinement: 0.146
• Goodness-of-fit parameter for all reflections included in the refinement: 1.302
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No