Information card for entry 4036048

Structure parameters

• Formula: C25 H29 N3 O3
• Calculated formula: C25 H29 N3 O3
• SMILES: O=C(OC(C)(C)C)NC1(N(C(=O)CC1)Cc1ccccc1)Cc1c2c([nH]c1)cccc2
• 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: 6.7044 ± 0.001 Å
• b: 28.659 ± 0.004 Å
• c: 11.4082 ± 0.0018 Å
• α: 90°
• β: 91.966 ± 0.009°
• γ: 90°
• Cell volume: 2190.7 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1014
• Residual factor for significantly intense reflections: 0.0712
• Weighted residual factors for significantly intense reflections: 0.1771
• Weighted residual factors for all reflections included in the refinement: 0.1965
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No