Information card for entry 1553506

Structure parameters

• Formula: C31 H27 N2 O2
• Calculated formula: C31 H27 N2 O2
• SMILES: N(N=C(c1ccccc1)c1ccccc1)c1cc2c(cc1CCc1cc(OC)c(cc1)CC2)C=O
• Title of publication: [2.2]Paracyclophane-based N-heterocyclic carbene as efficient catalyst or as ligand for copper catalyst for asymmetric α-silylation of N-tosylaldimines
• Authors of publication: Chen, Zhen; Huo, Yuwen; An, Ping; Wang, Xichao; Song, Chun; Ma, Yudao
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2016
• Journal volume: 3
• Journal issue: 12
• Pages of publication: 1725
• a: 8.681 ± 0.007 Å
• b: 17.323 ± 0.014 Å
• c: 32.77 ± 0.03 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4928 ± 7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1149
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for significantly intense reflections: 0.1064
• Weighted residual factors for all reflections included in the refinement: 0.1312
• Goodness-of-fit parameter for all reflections included in the refinement: 0.974
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No