Information card for entry 4087519

Structure parameters

• Formula: C32 H36 O4 U
• Calculated formula: C32 H36 O4 U
• SMILES: O(c1cccc(C[U](Cc2cccc(OC)c2)(Cc2cccc(OC)c2)Cc2cccc(OC)c2)c1)C
• Title of publication: New Benzylpotassium Reagents and Their Utility for the Synthesis of Homoleptic Uranium(IV) Benzyl Derivatives
• Authors of publication: Johnson, Sara A.; Kiernicki, John J.; Fanwick, Phillip E.; Bart, Suzanne C.
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 12
• Pages of publication: 2889
• a: 19.8917 ± 0.0006 Å
• b: 7.5254 ± 0.0002 Å
• c: 18.6598 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2793.24 ± 0.16 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0605
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.1771
• Weighted residual factors for all reflections included in the refinement: 0.1897
• Goodness-of-fit parameter for all reflections included in the refinement: 1.195
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No