Information card for entry 1520518

Structure parameters

• Formula: C43 H41 N3 O4
• Calculated formula: C43 H41 N3 O4
• SMILES: c1ccccc1CN1c2ccccc2[C@](C1=O)(c1cn(c2c1cccc2)Cc1ccccc1)[C@H](C)C(=O)Nc1ccccc1.CC(=O)OCC.c1ccccc1CN1c2ccccc2[C@@](C1=O)(c1cn(c2c1cccc2)Cc1ccccc1)[C@@H](C)C(=O)Nc1ccccc1.CC(=O)OCC
• Title of publication: Tf~2~NH-Catalyzed Amide Synthesis from Vinyl Azides and Alcohols
• Authors of publication: Zhang, Feng-Lian; Zhu, Xu; Chiba, Shunsuke
• Journal of publication: Organic Letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 12
• Pages of publication: 3138 - 3141
• a: 31.617 ± 0.014 Å
• b: 15.428 ± 0.007 Å
• c: 14.478 ± 0.006 Å
• α: 90°
• β: 101.899 ± 0.005°
• γ: 90°
• Cell volume: 6910 ± 5 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1227
• Residual factor for significantly intense reflections: 0.0834
• Weighted residual factors for significantly intense reflections: 0.2157
• Weighted residual factors for all reflections included in the refinement: 0.2538
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No