Information card for entry 4119982

Structure parameters

• Formula: C41 H41 B Cl2 F4 N4 O
• Calculated formula: C41 H41 B Cl2 F4 N4 O
• SMILES: O(N=Nc1n(cc[n+]1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)C(c1ccccc1)(c1ccccc1)c1ccccc1.[B](F)(F)(F)[F-].C(Cl)Cl
• Title of publication: Adducts of Nitrous Oxide and N-Heterocyclic Carbenes: Syntheses, Structures, and Reactivity
• Authors of publication: Alexander G. Tskhovrebov; Basile Vuichoud; Euro Solari; Rosario Scopelliti; Kay Severin
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 9486 - 9492
• a: 8.4745 ± 0.0011 Å
• b: 15.689 ± 0.002 Å
• c: 15.702 ± 0.003 Å
• α: 79.949 ± 0.013°
• β: 80.705 ± 0.013°
• γ: 89.136 ± 0.013°
• Cell volume: 2028.5 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0762
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.1275
• Weighted residual factors for all reflections included in the refinement: 0.1395
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No