Information card for entry 7155389

Structure parameters

• Formula: C25 H20 Cl N O4
• Calculated formula: C25 H20 Cl N O4
• SMILES: C1(=O)C(=C)C[C@](c2ccccc2)(C(=O)Oc2ccc(cc2)Cl)N1c1ccc(cc1)OC
• Title of publication: Indium-catalysed amide allylation of α-iminoamide: highly enantioselective synthesis of amide functionalised α-methylene-γ-butyrolactams.
• Authors of publication: Sengoku, Tetsuya; Kokubo, Kana; Sakamoto, Masami; Takahashi, Masaki; Yoda, Hidemi
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2017
• Journal volume: 15
• Journal issue: 2
• Pages of publication: 320 - 323
• a: 6.5505 ± 0.0003 Å
• b: 8.7111 ± 0.0004 Å
• c: 9.9103 ± 0.0005 Å
• α: 82.5366 ± 0.0018°
• β: 73.6985 ± 0.0014°
• γ: 76.9181 ± 0.0018°
• Cell volume: 527.35 ± 0.04 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0298
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.0766
• Weighted residual factors for all reflections included in the refinement: 0.0768
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 1.54178 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No