Information card for entry 7120116

Structure parameters

• Formula: C23 H25 N O2
• Calculated formula: C23 H25 N O2
• SMILES: O=C(N(/C(=C\C(=O)C1CC1)c1ccccc1)C(C)(C)C)c1ccccc1
• Title of publication: Gold-catalyzed Oxidative Hydroacylation Reactions of -Imino Alkynes with Aldehydes and O2
• Authors of publication: Liu, Rai-Shung; Hsu, Yu-Chen; Lai, Jing-He
• Journal of publication: Chem. Commun.
• Year of publication: 2017
• a: 9.7947 ± 0.0006 Å
• b: 10.1593 ± 0.0006 Å
• c: 10.2676 ± 0.0006 Å
• α: 77.035 ± 0.002°
• β: 75.489 ± 0.003°
• γ: 71.193 ± 0.002°
• Cell volume: 924.74 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0577
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1386
• Weighted residual factors for all reflections included in the refinement: 0.1604
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No