Information card for entry 4130372

Structure parameters

• Common name: BNH-III-066
• Formula: C19 H19 N O3
• Calculated formula: C19 H19 N O3
• SMILES: O=C1O[C@H]([C@H](N2CCOCC2)c2c1cccc2)c1ccccc1.O=C1O[C@@H]([C@@H](N2CCOCC2)c2c1cccc2)c1ccccc1
• Title of publication: Copper-Catalyzed Amino Lactonization and Amino Oxygenation of Alkenes Using O-Benzoylhydroxylamines.
• Authors of publication: Hemric, Brett N.; Shen, Kun; Wang, Qiu
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 18
• Pages of publication: 5813 - 5816
• a: 10.358 ± 0.0003 Å
• b: 18.6766 ± 0.0005 Å
• c: 8.495 ± 0.0002 Å
• α: 90°
• β: 109.125 ± 0.001°
• γ: 90°
• Cell volume: 1552.67 ± 0.07 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0618
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1357
• Weighted residual factors for all reflections included in the refinement: 0.1439
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No