Information card for entry 7228891

Structure parameters

• Chemical name: 2,5-bis(chloromethyl)-1,4-bis[9trifluoromethyl0sulfonyl]piperazine
• Formula: C4 H5 Cl F3 N O2 S
• Calculated formula: C4 H5 Cl F3 N O2 S
• Title of publication: Oxidative addition/cycloaddition of arenesulfonamides and triflamide to N-allyltriflamide and N,N-diallyltriflamide
• Authors of publication: Shainyan, B. A.; Astakhova, V. V.; Ganin, A. S.; Moskalik, M. Yu; Sterkhova, I. V.
• Journal of publication: RSC Adv.
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 62
• Pages of publication: 38951
• a: 8.809 ± 0.0004 Å
• b: 12.7998 ± 0.0006 Å
• c: 7.22 ± 0.0003 Å
• α: 90°
• β: 91.795 ± 0.002°
• γ: 90°
• Cell volume: 813.68 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0314
• Residual factor for significantly intense reflections: 0.0257
• Weighted residual factors for significantly intense reflections: 0.064
• Weighted residual factors for all reflections included in the refinement: 0.0671
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No