Information card for entry 4518762

Structure parameters

• Formula: C18 H46 B Mn O2 P4
• Calculated formula: C18 H46 B Mn O2 P4
• Title of publication: Manganese-Catalyzed C(sp2)‒H Borylation of Furan and Thiophene Derivatives
• Authors of publication: Britton, Luke; Skrodzki, Maciej; Nichol, Gary S.; Dominey, Andrew P.; Pawluć, Piotr; Docherty, Jamie H.; Thomas, Stephen P.
• Journal of publication: ACS Catalysis
• Year of publication: 2021
• Pages of publication: 6857 - 6864
• a: 9.1864 ± 0.0003 Å
• b: 20.8702 ± 0.0007 Å
• c: 13.5759 ± 0.0005 Å
• α: 90°
• β: 101.606 ± 0.003°
• γ: 90°
• Cell volume: 2549.58 ± 0.15 ų
• Cell temperature: 120 ± 0.1 K
• Ambient diffraction temperature: 120 ± 0.1 K
• Number of distinct elements: 6
• 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: 0.0398
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0651
• Weighted residual factors for all reflections included in the refinement: 0.0684
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No