Information card for entry 4036046

Structure parameters

• Formula: C20 H29 N2 O3
• Calculated formula: C20 H29 N2 O3
• SMILES: O=C(OC(C)(C)C)NC1(N(C(=O)CC1)CCCC)Cc1ccccc1
• Title of publication: Direct Transformation of N-protected α,β-Unsaturated γ-Amino Amides into γ-Lactams through a Base Mediated Molecular Rearrangement.
• Authors of publication: Ganesh Kumar, Mothukuri; Veeresh, Kuruva; Nalawade, Sachin A.; Nithun, Raj V.; Gopi, Hosahudya N.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• a: 28.9 ± 0.04 Å
• b: 10.508 ± 0.013 Å
• c: 13.397 ± 0.017 Å
• α: 90°
• β: 106.42 ± 0.03°
• γ: 90°
• Cell volume: 3902 ± 9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.3844
• Residual factor for significantly intense reflections: 0.1511
• Weighted residual factors for significantly intense reflections: 0.3044
• Weighted residual factors for all reflections included in the refinement: 0.3809
• Goodness-of-fit parameter for all reflections included in the refinement: 1.265
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No