Information card for entry 7133762

Structure parameters

• Chemical name: guanidinium 4,4?-biphenyldisulfonate 2-fluoropropiophenone
• Formula: C23 H29 F N6 O7 S2
• Calculated formula: C23 H29 F N6 O7 S2
• Title of publication: Hydrogen-bonded frameworks for conformational analysis of reactive substrates.
• Authors of publication: Dillon, Alexandra M.; Shtukenberg, Alexander G.; Demkiw, Krystyna M.; Woerpel, K. A.; Ward, Michael D.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• a: 7.3252 ± 0.0005 Å
• b: 12.7523 ± 0.0009 Å
• c: 30.161 ± 0.002 Å
• α: 96.337 ± 0.004°
• β: 94.485 ± 0.004°
• γ: 93.536 ± 0.004°
• Cell volume: 2784.6 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1782
• Residual factor for significantly intense reflections: 0.1468
• Weighted residual factors for significantly intense reflections: 0.2969
• Weighted residual factors for all reflections included in the refinement: 0.3125
• Goodness-of-fit parameter for all reflections included in the refinement: 1.131
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No