Information card for entry 4337916

Structure parameters

• Formula: C27 H31 N3
• Calculated formula: C27 H31 N3
• SMILES: N(=C(C)\c1nc(ccc1)/C(=N/c1c(cc(cc1C)C)C)C)/c1c(cc(cc1C)C)C
• Title of publication: Multielectron C-O Bond Activation Mediated by a Family of Reduced Uranium Complexes.
• Authors of publication: Kiernicki, John J.; Newell, Brian S.; Matson, Ellen M.; Anderson, Nickolas H.; Fanwick, Phillip E.; Shores, Matthew P.; Bart, Suzanne C.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 7
• Pages of publication: 3730
• a: 8.2054 ± 0.0002 Å
• b: 11.419 ± 0.0002 Å
• c: 13.0767 ± 0.0009 Å
• α: 79.305 ± 0.006°
• β: 77.099 ± 0.005°
• γ: 76.629 ± 0.005°
• Cell volume: 1150.3 ± 0.09 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0685
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.1187
• Weighted residual factors for all reflections included in the refinement: 0.1639
• Goodness-of-fit parameter for all reflections included in the refinement: 1.177
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No