Information card for entry 4102175

Structure parameters

• Formula: C38 H58 I2 N4 O2 U
• Calculated formula: C38 H58 I2 N4 O2 U
• SMILES: C12N(CCN1c1c(cccc1C(C)C)C(C)C)CC(C)(O[U]1=2(I)(=C2N(CCN2c2c(cccc2C(C)C)C(C)C)CC(C)(O1)C)I)C
• Title of publication: Addition-Elimination Reactions across the M-C Bond of Metal N-Heterocyclic Carbenes
• Authors of publication: Zoë R. Turner; Ronan Bellabarba; Robert P. Tooze; Polly L. Arnold
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 4050 - 4051
• a: 9.2758 ± 0.0002 Å
• b: 12.5624 ± 0.0003 Å
• c: 17.6005 ± 0.0003 Å
• α: 90°
• β: 90.212 ± 0.001°
• γ: 90°
• Cell volume: 2050.91 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0473
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.0861
• Weighted residual factors for all reflections included in the refinement: 0.0888
• Goodness-of-fit parameter for all reflections included in the refinement: 1.163
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No