Information card for entry 7126652

Structure parameters

• Formula: C7 H13 Cl F N O4 S2
• Calculated formula: C7 H13 Cl F N O4 S2
• Title of publication: But-3-ene-1,3-disulfonyl difluoride (BDF): a highly selective SuFEx clickable hub for the quick assembly of sultam-containing aliphatic sulfonyl fluorides.
• Authors of publication: Li, Chen; Zheng, Yujie; Rakesh, K. P.; Qin, Hua-Li
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 58
• Pages of publication: 8075 - 8078
• a: 14.829 ± 0.012 Å
• b: 5.526 ± 0.005 Å
• c: 18.143 ± 0.011 Å
• α: 90°
• β: 127.47 ± 0.04°
• γ: 90°
• Cell volume: 1180 ± 1.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1001
• Residual factor for significantly intense reflections: 0.0779
• Weighted residual factors for significantly intense reflections: 0.1805
• Weighted residual factors for all reflections included in the refinement: 0.193
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No