Information card for entry 4120262

Structure parameters

• Formula: C11 H18 N2 O2
• Calculated formula: C11 H18 N2 O2
• SMILES: n1(c([n+](C(C)C)cc1)CC(=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: 10.3471 ± 0.0009 Å
• b: 10.6302 ± 0.0008 Å
• c: 11.6411 ± 0.0009 Å
• α: 90°
• β: 114.972 ± 0.005°
• γ: 90°
• Cell volume: 1160.72 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0567
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.1051
• Weighted residual factors for all reflections included in the refinement: 0.1128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No