Information card for entry 1576552

Structure parameters

• Chemical name: 3,4-bischlorosulfonyl-benzoic acid
• Formula: C15 H14 Cl2 O6 S2
• Calculated formula: C7 H4 Cl2 O6 S2
• Title of publication: Molecular insight into a disulfonimide-bearing diol: synthesis, characterisation and access to poly(disulfonimide)s
• Authors of publication: Sapegin, Denis A.; Kuznetsov, Danila A.; Penny, Edward J.; Cockcroft, Jeremy K.; Bear, Joseph C.
• Journal of publication: Polymer Chemistry
• Year of publication: 2026
• Journal volume: 17
• Journal issue: 6
• Pages of publication: 679 - 689
• a: 17.6722 ± 0.0004 Å
• b: 14.9571 ± 0.0003 Å
• c: 6.8177 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1802.09 ± 0.1 ų
• Cell temperature: 130 K
• Ambient diffraction temperature: 130 K
• Number of distinct elements: 5
• Space group number: 55
• Hermann-Mauguin space group symbol: P b a m
• Hall space group symbol: -P 2 2ab
• Residual factor for all reflections: 0.0812
• Residual factor for significantly intense reflections: 0.0741
• Weighted residual factors for significantly intense reflections: 0.2211
• Weighted residual factors for all reflections included in the refinement: 0.2285
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No