Information card for entry 4126474

Structure parameters

• Chemical name: N,N'-((11bS,11b'S)-azanediylbis(2,6-bis(3,5-bis(pentafluoro- 1^6^-sulfanyl)phenyl)-41^5^-dinaphtho[2,1-d:1',2'- f][1,3,2]dioxaphosphepine-4-yl-4-ylidene))bis(1,1,1- trifluoromethanesulfonamide) dichloromethane hexane solute
• Formula: C83.2 H33 Cl3.8 F44.8 N3 O7.2 P2 S10
• Calculated formula: C83.2 H33 Cl3.8 F44.8 N3 O7.2 P2 S10
• Title of publication: Catalytic Asymmetric [4+2]-Cycloaddition of Dienes with Aldehydes
• Authors of publication: Liu, Luping; Kim, Hyejin; Xie, Youwei; Farès, Christophe; Kaib, Philip S. J.; Goddard, Richard; List, Benjamin
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• a: 18.7656 ± 0.0013 Å
• b: 41.726 ± 0.003 Å
• c: 14.4668 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11327.7 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0785
• Residual factor for significantly intense reflections: 0.0674
• Weighted residual factors for significantly intense reflections: 0.1847
• Weighted residual factors for all reflections included in the refinement: 0.192
• Goodness-of-fit parameter for all reflections included in the refinement: 1.513
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: Cu-Kα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No