Information card for entry 4128296

Structure parameters

• Formula: C23 H23 N O5
• Calculated formula: C23 H23 N O5
• SMILES: C(CCc1c2ccc3c4c2c(cc1)ccc4ccc3)C(=O)N[C@H](C(=O)O)CO.O
• Title of publication: Occurrence of Chiral Nanostructures Induced by Multiple Hydrogen Bonds.
• Authors of publication: Xing, Pengyao; Li, Yongxin; Xue, Shixin; Fiona Phua, Soo Zeng; Ding, Chendi; Chen, Hongzhong; Zhao, Yanli
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 25
• Pages of publication: 9946 - 9954
• a: 4.8537 ± 0.0009 Å
• b: 7.4768 ± 0.0015 Å
• c: 50.879 ± 0.011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1846.4 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1775
• Residual factor for significantly intense reflections: 0.0947
• Weighted residual factors for significantly intense reflections: 0.2033
• Weighted residual factors for all reflections included in the refinement: 0.2466
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No