Information card for entry 7720214

Structure parameters

• Formula: C16 H10 B2 O4 S
• Calculated formula: C16 H10 B2 O4 S
• Title of publication: Boronate esters for the binding and detection of low molecular weight volatile amines.
• Authors of publication: Li, Xiaoning; Boyt, James; Cai, Min; Sloope, Steven; Lackovic, Luke T.; Smith, Mark D.; Lavigne, John J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2026
• Journal volume: 55
• Journal issue: 7
• Pages of publication: 3120 - 3126
• a: 22.971 ± 0.002 Å
• b: 4.8498 ± 0.0004 Å
• c: 26.049 ± 0.002 Å
• α: 90°
• β: 92.15 ± 0.002°
• γ: 90°
• Cell volume: 2899.9 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0411
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0932
• Weighted residual factors for all reflections included in the refinement: 0.096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No