Information card for entry 7125978

Structure parameters

• Formula: C61 H92 F6 Fe N4 O12 S2
• Calculated formula: C61 H92 F6 Fe N4 O12 S2
• Title of publication: Chiral N,N'-dioxide-iron(iii)-catalyzed asymmetric sulfoxidation with hydrogen peroxide.
• Authors of publication: Wang, Fang; Feng, Lili; Dong, Shunxi; Liu, Xiaohua; Feng, Xiaoming
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 21
• Pages of publication: 3233 - 3236
• a: 28.876 ± 0.002 Å
• b: 28.876 ± 0.002 Å
• c: 11.5084 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9596 ± 1.3 ų
• Cell temperature: 192 ± 2 K
• Ambient diffraction temperature: 192 ± 2 K
• Number of distinct elements: 7
• Space group number: 94
• Hermann-Mauguin space group symbol: P 42 21 2
• Hall space group symbol: P 4n 2n
• Residual factor for all reflections: 0.1214
• Residual factor for significantly intense reflections: 0.086
• Weighted residual factors for significantly intense reflections: 0.2178
• Weighted residual factors for all reflections included in the refinement: 0.2327
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No