Information card for entry 4036051

Structure parameters

• Formula: C25 H29 N3 O2
• Calculated formula: C25 H29 N3 O2
• SMILES: O=C1N(C(NC(=O)CC(C)C)(CC1)Cc1c[nH]c2c1cccc2)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: 6.9007 ± 0.0011 Å
• b: 25.211 ± 0.004 Å
• c: 13.042 ± 0.002 Å
• α: 90°
• β: 101.886 ± 0.004°
• γ: 90°
• Cell volume: 2220.3 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0419
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0975
• Weighted residual factors for all reflections included in the refinement: 0.1037
• Goodness-of-fit parameter for all reflections included in the refinement: 0.761
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No