Information card for entry 4103311

Structure parameters

• Formula: C41 H66 B Li N2 O2
• Calculated formula: C41 H66 B Li N2 O2
• Title of publication: A Viable Anionic N-Heterocyclic Dicarbene
• Authors of publication: Yuzhong Wang; Yaoming Xie; Mariham Y. Abraham; Pingrong Wei; Henry F. Schaefer; Paul v. R. Schleyer; Gregory H. Robinson
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 14370 - 14372
• a: 11.7165 ± 0.0007 Å
• b: 17.9698 ± 0.0011 Å
• c: 19.7863 ± 0.0012 Å
• α: 90°
• β: 101.539 ± 0.001°
• γ: 90°
• Cell volume: 4081.7 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0999
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for significantly intense reflections: 0.1386
• Weighted residual factors for all reflections included in the refinement: 0.1647
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No