Information card for entry 7133763

Structure parameters

• Chemical name: guanidinium 4,4?-biphenyldisulfonate 2-bromopropiophenone
• Formula: C23 H33 Br N6 O9 S2
• Calculated formula: C23 H33 Br N6 O9 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
• Journal volume: 60
• Journal issue: 82
• Pages of publication: 11770 - 11773
• a: 31.674 ± 0.003 Å
• b: 11.6225 ± 0.0012 Å
• c: 8.2592 ± 0.0008 Å
• α: 90°
• β: 101.032 ± 0.006°
• γ: 90°
• Cell volume: 2984.3 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.1358
• Residual factor for significantly intense reflections: 0.0831
• Weighted residual factors for significantly intense reflections: 0.1733
• Weighted residual factors for all reflections included in the refinement: 0.1996
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No