Information card for entry 4129731

Structure parameters

• Formula: C57 H50 Fe N2 O2 Si2
• Calculated formula: C57 H50 Fe N2 O2 Si2
• Title of publication: Stereoselective Catalysis Achieved through in Situ Desymmetrization of an Achiral Iron Catalyst Precursor.
• Authors of publication: Manna, Cesar M.; Kaur, Aman; Yablon, Lauren M.; Haeffner, Fredrik; Li, Bo; Byers, Jeffery A.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 45
• Pages of publication: 14232 - 14235
• a: 13.8775 ± 0.0007 Å
• b: 22.7066 ± 0.0012 Å
• c: 16.4233 ± 0.0008 Å
• α: 89.98 ± 0.002°
• β: 111.607 ± 0.002°
• γ: 90.049 ± 0.003°
• Cell volume: 4811.5 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.072
• Residual factor for significantly intense reflections: 0.0647
• Weighted residual factors for significantly intense reflections: 0.1671
• Weighted residual factors for all reflections included in the refinement: 0.1722
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No