Information card for entry 4518091

Structure parameters

• Formula: C21 H34 Br2 O4 Si
• Calculated formula: C21 H34 Br2 O4 Si
• Title of publication: Direct Access to Monoprotected Homoallylic 1,2-Diols via Dual Chromium/Photoredox Catalysis
• Authors of publication: Schäfers, Felix; Quach, Linda; Schwarz, J. Luca; Saladrigas, Mar; Daniliuc, Constantin G.; Glorius, Frank
• Journal of publication: ACS Catalysis
• Year of publication: 2020
• Pages of publication: 11841 - 11847
• a: 12.8335 ± 0.0002 Å
• b: 14.5079 ± 0.0002 Å
• c: 25.395 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4728.22 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0282
• Residual factor for significantly intense reflections: 0.0272
• Weighted residual factors for significantly intense reflections: 0.0669
• Weighted residual factors for all reflections included in the refinement: 0.0675
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No