Information card for entry 4082952

Structure parameters

• Formula: C44.5 H64 I N O3 U
• Calculated formula: C44.5 H64 I N O3 U
• SMILES: [U]1(I)(Oc2c(N1c1c(cccc1C(C)C)C(C)C)cc(cc2C(C)(C)C)C(C)(C)C)([O]1CCCC1)([O]1CCCC1)Cc1ccccc1.c1(ccccc1)C
• Title of publication: Radical Reductive Elimination from Tetrabenzyluranium Mediated by an Iminoquinone Ligand
• Authors of publication: Matson, Ellen M.; Franke, Sebastian M.; Anderson, Nickolas H.; Cook, Timothy D.; Fanwick, Phillip E.; Bart, Suzanne C.
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 8
• Pages of publication: 1964
• a: 28.2048 ± 0.0009 Å
• b: 15.3209 ± 0.0005 Å
• c: 22.6313 ± 0.0007 Å
• α: 90°
• β: 108.301 ± 0.002°
• γ: 90°
• Cell volume: 9284.9 ± 0.5 ų
• Cell temperature: 150 ± 0.2 K
• Ambient diffraction temperature: 150 ± 0.2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.082
• Residual factor for significantly intense reflections: 0.07
• Weighted residual factors for significantly intense reflections: 0.201
• Weighted residual factors for all reflections included in the refinement: 0.211
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CU-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No