Information card for entry 4034627

Structure parameters

• Formula: C23 H21 N3 O3
• Calculated formula: C23 H21 N3 O3
• SMILES: C(=O)(C(=N\Cc1ccc(cc1)N(=O)=O)/c1cc(ccc1)C)NCc1ccccc1
• Title of publication: Chemo- and Regioselective Asymmetric Synthesis of Cyclic Enamides through the Catalytic Umpolung Organocascade Reaction of α-Imino Amides.
• Authors of publication: Yoshida, Yasushi; Hiroshige, Tomohiko; Omori, Kazuki; Mino, Takashi; Sakamoto, Masami
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• Journal volume: 84
• Journal issue: 11
• Pages of publication: 7362 - 7371
• a: 20.7396 ± 0.0004 Å
• b: 8.9839 ± 0.0002 Å
• c: 21.9017 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4080.78 ± 0.15 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0419
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.1037
• Weighted residual factors for all reflections included in the refinement: 0.1081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No