Information card for entry 4120267

Structure parameters

• Formula: C19 H26 N2 O2
• Calculated formula: C19 H26 N2 O2
• SMILES: n1(c([n+](c2c(cccc2C(C)C)C(C)C)cc1)C(=O)[O-])C(C)C
• Title of publication: Fast CO2 Sequestration, Activation, and Catalytic Transformation Using N-Heterocyclic Olefins
• Authors of publication: Yan-Bo Wang; Yi-Ming Wang; Wen-Zhen Zhang; Xiao-Bing Lu
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 11996 - 12003
• a: 17.382 ± 0.002 Å
• b: 7.0482 ± 0.0009 Å
• c: 30.384 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3722.4 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0754
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.1272
• Weighted residual factors for all reflections included in the refinement: 0.1444
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No