Information card for entry 7218538

Structure parameters

• Chemical name: Trimer 5
• Formula: C25.13 H25.88 N3 Na O11
• Calculated formula: C25.1195 H25.8805 N3 Na O11
• SMILES: c1(c(cccc1NC(=O)c1c([O-])c(NC(=O)c2c(OC)c(N(=O)=O)ccc2)ccc1)C(=O)OC)OC.CO.[Na+].O
• Title of publication: A Conformationally Switchable Fluorescent Oligophenol Foldamer for Selective Sensing of Copper(II) Ions
• Authors of publication: Liu, Jiaqiang; Sun, Chang; Ma, Wenliang; Lu, Yu-Jing; Yu, Lin; Zhang, Kun; Zeng, Huaqiang
• Journal of publication: RSC Adv.
• Year of publication: 2014
• a: 15.2734 ± 0.0012 Å
• b: 15.273 Å
• c: 23.031 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5372.5 ± 0.6 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• 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: 0.1212
• Residual factor for significantly intense reflections: 0.0818
• Weighted residual factors for significantly intense reflections: 0.1553
• Weighted residual factors for all reflections included in the refinement: 0.1703
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No