Information card for entry 4132810

Structure parameters

• Formula: C23 H30 N4 O
• Calculated formula: C23 H30 N4 O
• SMILES: O(N1C(CCCC1(C)C)(C)C)[C@@H]([C@H](N=N#N)c1ccccc1)c1ccccc1.O(N1C(CCCC1(C)C)(C)C)[C@H]([C@@H](N=N#N)c1ccccc1)c1ccccc1
• Title of publication: Electrochemical Azidooxygenation of Alkenes Mediated by a TEMPO-N₃ Charge-Transfer Complex.
• Authors of publication: Siu, Juno C.; Sauer, Gregory S.; Saha, Ambarneil; Macey, Reed L.; Fu, Niankai; Chauviré, Timothée; Lancaster, Kyle M.; Lin, Song
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 39
• Pages of publication: 12511 - 12520
• a: 12.8801 ± 0.0001 Å
• b: 14.6375 ± 0.0001 Å
• c: 11.2233 ± 0.0001 Å
• α: 90°
• β: 93.525 ± 0.001°
• γ: 90°
• Cell volume: 2111.95 ± 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: 0.04
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.1041
• Weighted residual factors for all reflections included in the refinement: 0.105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No