Information card for entry 4121813

Structure parameters

• Formula: C36 H52 N4 O10
• Calculated formula: C36 H52 N4 O10
• SMILES: c1c2cccc1C(=O)NCCCOCCOCCOCCCNC(=O)c1cc(C(=O)NCCCOCCOCCOCCCNC2=O)ccc1
• Title of publication: Cooperativity and complexity in the binding of anions and cations to a tetratopic ion-pair host.
• Authors of publication: Howe, Ethan N. W.; Bhadbhade, Mohan; Thordarson, Pall
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 20
• Pages of publication: 7505 - 7516
• a: 14.429 ± 0.003 Å
• b: 28.69 ± 0.006 Å
• c: 8.52 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3527 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0551
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.1323
• Weighted residual factors for all reflections included in the refinement: 0.1354
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71085 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No