Information card for entry 1567461

Structure parameters

• Formula: C19 H21 N O2
• Calculated formula: C19 H21 N O2
• SMILES: N1=C(c2ccc(C)cc2)CC(C(O1)(O)c1ccccc1)(C)C
• Title of publication: Azodioxy compounds as precursors for C-radicals and their application in thermal styrene difunctionalization
• Authors of publication: Plöger, Stefanie; Mück-Lichtenfeld, Christian; Daniliuc, Constantin G.; Studer, Armido
• Journal of publication: Chemical Science
• Year of publication: 2022
• Journal volume: 13
• Journal issue: 33
• Pages of publication: 9749 - 9754
• a: 9.0815 ± 0.0002 Å
• b: 11.6927 ± 0.0002 Å
• c: 14.7988 ± 0.0003 Å
• α: 90°
• β: 102.05 ± 0.001°
• γ: 90°
• Cell volume: 1536.82 ± 0.05 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: 0.0413
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0813
• Weighted residual factors for all reflections included in the refinement: 0.0861
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation probe: single crystal
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No