Information card for entry 7123730

Structure parameters

• Chemical name: compound 2
• Formula: C43 H64 Fe N2 O5
• Calculated formula: C43 H64 Fe N2 O5
• Title of publication: Transition metal-mediated reductive coupling of diazoesters
• Authors of publication: Groysman, Stanislav; Grass, Amanda; Stoian, Sebastian A.; Lord, Richard L.
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 14.9936 ± 0.0013 Å
• b: 16.3764 ± 0.001 Å
• c: 17.6759 ± 0.0014 Å
• α: 90°
• β: 110.103 ± 0.003°
• γ: 90°
• Cell volume: 4075.7 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0557
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.1018
• Weighted residual factors for all reflections included in the refinement: 0.1075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No