Information card for entry 4119973

Structure parameters

• Formula: C21 H26 N4 O2
• Calculated formula: C21 H26 N4 O2
• SMILES: O=NN=C1N(C=CN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C.O
• 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: 8.446 ± 0.007 Å
• b: 15.471 ± 0.009 Å
• c: 15.65 ± 0.01 Å
• α: 90°
• β: 99.33 ± 0.03°
• γ: 90°
• Cell volume: 2018 ± 2 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.112
• Residual factor for significantly intense reflections: 0.0716
• Weighted residual factors for significantly intense reflections: 0.1737
• Weighted residual factors for all reflections included in the refinement: 0.1965
• Goodness-of-fit parameter for all reflections included in the refinement: 0.946
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No