Information card for entry 7107542

Structure parameters

• Formula: C24 H36 Cl2 Fe N4 O11
• Calculated formula: C24 H36 Cl2 Fe N4 O11
• Title of publication: Iron(II)-catalyzed enantioselective meso-epoxide-opening with anilines
• Authors of publication: Baptiste Plancq; Thierry Ollevier
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 3806
• a: 11.1665 ± 0.0005 Å
• b: 11.1665 Å
• c: 22.5811 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2438.43 ± 0.15 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 152
• Hermann-Mauguin space group symbol: P 31 2 1
• Hall space group symbol: P 31 2"
• Residual factor for all reflections: 0.0559
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1306
• Weighted residual factors for all reflections included in the refinement: 0.1373
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No