Information card for entry 8000160

Structure parameters

• Formula: C40 H41 N O5
• Calculated formula: C40 H41 N O5
• SMILES: O(N([C@@H](c1ccc(OC)cc1)C#Cc1ccccc1)Cc1ccccc1)C(=O)[C@]12OC(=O)[C@](CC1)(C2(C)C)C.c1(ccccc1)C
• Title of publication: Catalytic Asymmetric Addition of Alkynylzinc Reagents to Nitrones
• Authors of publication: Konishi, Atsuko; Wei, Weilin; Kobayashi, Masato; Fujinami, Shuhei; Ukaji, Yutaka; Inomata, Katsuhiko
• Journal of publication: Chemistry Letters
• Year of publication: 2007
• Journal volume: 36
• Journal issue: 1
• Pages of publication: 44
• a: 6.194 ± 0.001 Å
• b: 10.686 ± 0.002 Å
• c: 13.007 ± 0.002 Å
• α: 91.913 ± 0.004°
• β: 91.046 ± 0.005°
• γ: 99.929 ± 0.006°
• Cell volume: 847.3 ± 0.2 ų
• Cell temperature: 123.2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for all reflections included in the refinement: 0.0594
• Goodness-of-fit parameter for all reflections included in the refinement: 1.356
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No