Information card for entry 4518542

Structure parameters

• Formula: C19 H17 N O6
• Calculated formula: C19 H17 N O6
• Title of publication: Inverse Evolution of Helicity from the Molecular to the Macroscopic Level Based on N-Terminal Aromatic Amino Acids
• Authors of publication: Liang, Juncong; Hao, Aiyou; Xing, Pengyao; Zhao, Yanli
• Journal of publication: ACS Nano
• Year of publication: 2021
• a: 8.6539 ± 0.0002 Å
• b: 7.8453 ± 0.0002 Å
• c: 13.4413 ± 0.0004 Å
• α: 90°
• β: 106.621 ± 0.003°
• γ: 90°
• Cell volume: 874.43 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0542
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.1025
• Weighted residual factors for all reflections included in the refinement: 0.1105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No