Information card for entry 4114749

Structure parameters

• Common name: 00201
• Formula: C46 H41 Fe O3
• Calculated formula: C46 H41 Fe O3
• Title of publication: Mechanistic Comparison of Cyclic Ester Polymerizations by Novel Iron(III)-Alkoxide Complexes: Single vs Multiple Site Catalysis
• Authors of publication: Brendan J. O'Keefe; Laurie E. Breyfogle; Marc A. Hillmyer; William B. Tolman
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2002
• Journal volume: 124
• Pages of publication: 4384 - 4393
• a: 10.8678 ± 0.001 Å
• b: 13.5829 ± 0.0012 Å
• c: 13.7118 ± 0.0012 Å
• α: 72.642 ± 0.001°
• β: 78.123 ± 0.002°
• γ: 73.155 ± 0.001°
• Cell volume: 1833.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0613
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for significantly intense reflections: 0.1329
• Weighted residual factors for all reflections included in the refinement: 0.1392
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No