Information card for entry 4038063

Structure parameters

• Formula: C34 H35 F6 N7 O12
• Calculated formula: C34 H35 F6 N7 O12
• Title of publication: Selective Carboxylate Recognition Using Urea-Functionalized Unclosed Cryptands: Mild Synthesis and Complexation Studies.
• Authors of publication: Niedbała, Patryk; Majdecki, Maciej; Dąbrowa, Kajetan; Jurczak, Janusz
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• Journal volume: 85
• Journal issue: 7
• Pages of publication: 5058 - 5064
• a: 17.907 ± 0.003 Å
• b: 9.0483 ± 0.0014 Å
• c: 25.336 ± 0.005 Å
• α: 90°
• β: 109.74 ± 0.02°
• γ: 90°
• Cell volume: 3863.9 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.2292
• Residual factor for significantly intense reflections: 0.1375
• Weighted residual factors for significantly intense reflections: 0.3305
• Weighted residual factors for all reflections included in the refinement: 0.4233
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No