Information card for entry 7159028

Structure parameters

• Formula: C136 H218 N8 O81 S8
• Calculated formula: C136 H218 N8 O81 S8
• Title of publication: Enhanced molecular binding affinity toward aromatic dications by anthracene-derived crown ethers in water.
• Authors of publication: Zhou, Jia-Liang; Li, Yan-Hong; Zhang, Ying-Ming; Chen, Ling; Liu, Yu
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2022
• Journal volume: 21
• Journal issue: 1
• Pages of publication: 107 - 114
• a: 24.7343 ± 0.0013 Å
• b: 24.7343 ± 0.0013 Å
• c: 13.8021 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8443.9 ± 0.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 84
• Hermann-Mauguin space group symbol: P 42/m
• Hall space group symbol: -P 4c
• Residual factor for all reflections: 0.2687
• Residual factor for significantly intense reflections: 0.1676
• Weighted residual factors for significantly intense reflections: 0.4756
• Weighted residual factors for all reflections included in the refinement: 0.5819
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No