Information card for entry 4035776

Structure parameters

• Formula: C16 H16 N2 O2
• Calculated formula: C16 H16 N2 O2
• SMILES: O(/N=C(\c1ccccc1)CNC(=O)c1ccccc1)C
• Title of publication: Copper(I)-Catalyzed N-O Bond Formation through Vinyl Nitrene Mediated Pathway under Mild Conditions.
• Authors of publication: Wu, Feifei; Zhang, Min; Zhou, Wei; Chen, Wanzhi; Liu, Miaochang; Wu, Huayue
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2018
• Journal volume: 83
• Journal issue: 11
• Pages of publication: 5999 - 6005
• a: 5.2551 ± 0.0006 Å
• b: 8.3833 ± 0.0008 Å
• c: 15.9413 ± 0.0016 Å
• α: 80.053 ± 0.008°
• β: 84.296 ± 0.009°
• γ: 86.691 ± 0.009°
• Cell volume: 687.72 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0684
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.1236
• Weighted residual factors for all reflections included in the refinement: 0.1412
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No