Information card for entry 4128954

Structure parameters

• Formula: C43.5 H44.75 F18 Fe N8.25 O0.75 P2
• Calculated formula: C43.5 H44.75 F18 Fe N8.25 O0.75 P2
• Title of publication: Chiral-at-Iron Catalyst: Expanding the Chemical Space for Asymmetric Earth-Abundant Metal Catalysis.
• Authors of publication: Hong, Yubiao; Jarrige, Lucie; Harms, Klaus; Meggers, Eric
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 11
• Pages of publication: 4569 - 4572
• a: 12.8763 ± 0.0001 Å
• b: 15.3531 ± 0.0002 Å
• c: 24.2529 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4794.58 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0455
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.0888
• Weighted residual factors for all reflections included in the refinement: 0.0913
• Goodness-of-fit parameter for all reflections included in the refinement: 0.96
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No