Information card for entry 4518786

Structure parameters

• Formula: C25 H25 N O3 S
• Calculated formula: C25 H25 N O3 S
• SMILES: S(CC[C@H](NC(=O)CCCc1c2c3c(cc1)ccc1c3c(cc2)ccc1)C(=O)O)C
• Title of publication: Hierarchically Evolved Supramolecular Chirality Mediated by Arene-Perfluoroarene Interaction.
• Authors of publication: Liang, Juncong; Zhang, Heng; Hao, Aiyou; Xing, Pengyao
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2021
• Journal volume: 13
• Journal issue: 24
• Pages of publication: 29170 - 29178
• a: 17.2358 ± 0.0008 Å
• b: 4.9787 ± 0.0002 Å
• c: 25.0265 ± 0.0009 Å
• α: 90°
• β: 97.307 ± 0.004°
• γ: 90°
• Cell volume: 2130.13 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0714
• Residual factor for significantly intense reflections: 0.0566
• Weighted residual factors for significantly intense reflections: 0.1442
• Weighted residual factors for all reflections included in the refinement: 0.1531
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No