Information card for entry 1568381

Structure parameters

• Formula: C34 H26 Cl N O2
• Calculated formula: C34 H26 Cl N O2
• Title of publication: Enantioselective direct Michael addition of cyanohydrin ether derivatives to enones catalyzed by chiral bis(guanidino)iminophosphorane organosuperbase.
• Authors of publication: Das, Saikat; Kondoh, Azusa; Terada, Masahiro
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 12
• Pages of publication: 3154 - 3159
• a: 7.2214 ± 0.0005 Å
• b: 28.506 ± 0.002 Å
• c: 13.0812 ± 0.0009 Å
• α: 90°
• β: 92.638 ± 0.003°
• γ: 90°
• Cell volume: 2690 ± 0.3 ų
• Cell temperature: 100 ± 0.5 K
• Ambient diffraction temperature: 100 ± 0.5 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0705
• Residual factor for significantly intense reflections: 0.0681
• Weighted residual factors for significantly intense reflections: 0.1756
• Weighted residual factors for all reflections included in the refinement: 0.1777
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No