Information card for entry 7218537

Structure parameters

• Chemical name: Trimer 4
• Formula: C24 H22 N2 O7
• Calculated formula: C24 H22 N2 O7
• SMILES: O(c1ccccc1C(=O)Nc1c(O)c(ccc1)C(=O)Nc1c(OC)c(ccc1)C(=O)OC)C
• 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: 14.0883 ± 0.0019 Å
• b: 9.8136 ± 0.0014 Å
• c: 16.084 ± 0.002 Å
• α: 90°
• β: 112.581 ± 0.004°
• γ: 90°
• Cell volume: 2053.2 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0596
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.127
• Weighted residual factors for all reflections included in the refinement: 0.1412
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No