Information card for entry 4130034

Structure parameters

• Common name: TL5-SSS
• Formula: C33 H37 N O5
• Calculated formula: C33 H37 N O5
• SMILES: OC(c1cc(OC)c2ccccc2c1OC)(c1c(OC)c2ccccc2c(OC)c1)[C@H]1N[C@@H]2[C@H](C1)CCCC2
• Title of publication: Oxy-Allyl Cation Catalysis: An Enantioselective Electrophilic Activation Mode.
• Authors of publication: Liu, Chun; Oblak, E. Zachary; Vander Wal, Mark N.; Dilger, Andrew K.; Almstead, Danielle K.; MacMillan, David W. C.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 7
• Pages of publication: 2134 - 2137
• a: 10.6171 ± 0.0004 Å
• b: 14.0098 ± 0.0005 Å
• c: 18.6989 ± 0.0006 Å
• α: 90°
• β: 94.495 ± 0.001°
• γ: 90°
• Cell volume: 2772.78 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0361
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0965
• Weighted residual factors for all reflections included in the refinement: 0.0986
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No