Information card for entry 1570162

Structure parameters

• Chemical name: OGB_DS_230316_V_FeBr2
• Formula: C28 H46 Br2 Fe P2 S
• Calculated formula: C28 H46 Br2 Fe P2 S
• Title of publication: Expanding the chemical space of enol silyl ethers: catalytic dicarbofunctionalization enabled by iron catalysis.
• Authors of publication: Sar, Dinabandhu; Yin, Shuai; Grygus, Jacob; Rentería-Gómez, Ángel; Garcia, Melanie; Gutierrez, Osvaldo
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 45
• Pages of publication: 13007 - 13013
• a: 17.1165 ± 0.0005 Å
• b: 19.8953 ± 0.0006 Å
• c: 20.744 ± 0.0007 Å
• α: 89.485 ± 0.002°
• β: 71.022 ± 0.002°
• γ: 89.93 ± 0.002°
• Cell volume: 6679.9 ± 0.4 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0525
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.1231
• Weighted residual factors for all reflections included in the refinement: 0.1266
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No