Information card for entry 4128439

Structure parameters

• Formula: C17 H31 N2 O3
• Calculated formula: C17 H31 N2 O3
• SMILES: O=[N]1C2(CC(NC(=O)C)CC31CCCCC3)CCCCC2.O
• Title of publication: Aminoxyl-Catalyzed Electrochemical Diazidation of Alkenes Mediated by a Metastable Charge-Transfer Complex.
• Authors of publication: Siu, Juno C.; Parry, Joseph B.; Lin, Song
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 7
• Pages of publication: 2825 - 2831
• a: 13.9834 ± 0.0001 Å
• b: 10.838 ± 0.0001 Å
• c: 11.6223 ± 0.0001 Å
• α: 90°
• β: 97.462 ± 0.001°
• γ: 90°
• Cell volume: 1746.47 ± 0.03 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0371
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.091
• Weighted residual factors for all reflections included in the refinement: 0.0929
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No