Information card for entry 4120701

Structure parameters

• Formula: C78 H110 K2 O16
• Calculated formula: C78 H82 K2 O16
• Title of publication: Synthesis of uranium-ligand multiple bonds by cleavage of a trityl protecting group.
• Authors of publication: Smiles, Danil E.; Wu, Guang; Hayton, Trevor W.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 1
• Pages of publication: 96 - 99
• a: 12.4741 ± 0.0004 Å
• b: 12.5528 ± 0.0004 Å
• c: 12.8731 ± 0.0004 Å
• α: 87.589 ± 0.002°
• β: 67.196 ± 0.002°
• γ: 86.878 ± 0.002°
• Cell volume: 1854.94 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1144
• Residual factor for significantly intense reflections: 0.0794
• Weighted residual factors for significantly intense reflections: 0.1664
• Weighted residual factors for all reflections included in the refinement: 0.1691
• Goodness-of-fit parameter for all reflections included in the refinement: 3.496
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No