Information card for entry 4038197

Structure parameters

• Formula: C16 H17 N O3
• Calculated formula: C16 H17 N O3
• SMILES: O=C1N(C(=O)CC2(CCCC2)C1)C(=O)c1ccccc1
• Title of publication: N-Acyl-Glutarimides: Effect of Glutarimide Ring on the Structures of Fully Perpendicular Twisted Amides and N-C Bond Cross-Coupling.
• Authors of publication: Rahman, Md Mahbubur; Liu, Chengwei; Bisz, Elwira; Dziuk, Błażej; Lalancette, Roger A.; Wang, Qi; Chen, Hao; Szostak, Roman; Szostak, Michal
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• a: 10.8446 ± 0.0014 Å
• b: 6.0594 ± 0.0007 Å
• c: 21.418 ± 0.002 Å
• α: 90°
• β: 97.942 ± 0.01°
• γ: 90°
• Cell volume: 1393.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.151
• Residual factor for significantly intense reflections: 0.0562
• Weighted residual factors for significantly intense reflections: 0.1405
• Weighted residual factors for all reflections included in the refinement: 0.1625
• Goodness-of-fit parameter for all reflections included in the refinement: 0.821
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No