Information card for entry 4129572

Structure parameters

• Formula: C21 H25 Br2 Cl3 Fe O2
• Calculated formula: C21 H25 Br2 Cl3 Fe O2
• Title of publication: Highly Selective Synthesis of Halomon, Plocamenone, and Isoplocamenone.
• Authors of publication: Bucher, Cyril; Deans, Richard M.; Burns, Noah Z.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 40
• Pages of publication: 12784 - 12787
• a: 15.2839 ± 0.0006 Å
• b: 9.8799 ± 0.0004 Å
• c: 15.4258 ± 0.0006 Å
• α: 90°
• β: 101.082 ± 0.002°
• γ: 90°
• Cell volume: 2285.91 ± 0.16 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0727
• Residual factor for significantly intense reflections: 0.0533
• Weighted residual factors for significantly intense reflections: 0.1103
• Weighted residual factors for all reflections included in the refinement: 0.1175
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No