Information card for entry 7160629

Structure parameters

• Formula: C142 H214 F6 N16 O12 Si
• Calculated formula: C142.028 H214.042 F6 N16.004 O12.004 Si
• Title of publication: Selective recognition and sensing of biologically important phosphates using triptycene-based anion receptors.
• Authors of publication: Kassir, Ahmad F.; Lupp, Daniel; Grabowski, Jakub; Granda, Jarosław M; Jurczak, Janusz
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 29
• Pages of publication: 6969 - 6977
• a: 17.0525 ± 0.0008 Å
• b: 19.664 ± 0.0009 Å
• c: 22.12 ± 0.0011 Å
• α: 90°
• β: 110.679 ± 0.0015°
• γ: 90°
• Cell volume: 6939.4 ± 0.6 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 6
• 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: 0.1305
• Residual factor for significantly intense reflections: 0.077
• Weighted residual factors for significantly intense reflections: 0.1938
• Weighted residual factors for all reflections included in the refinement: 0.2361
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No