Information card for entry 1518399

Structure parameters

• Formula: C17 H24 N2 O3
• Calculated formula: C17 H24 N2 O3
• SMILES: N1(O/C(=C/N(=O)=O)c2ccccc2)C(CCCC1(C)C)(C)C
• Title of publication: Stereoselective intermolecular nitroaminoxylation of terminal aromatic alkynes: trapping alkenyl radicals by TEMPO.
• Authors of publication: Yan, Hong; Rong, Guangwei; Liu, Defu; Zheng, Yang; Chen, Jie; Mao, Jincheng
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 24
• Pages of publication: 6306 - 6309
• a: 10.77 ± 0.002 Å
• b: 14.24 ± 0.003 Å
• c: 11.19 ± 0.002 Å
• α: 90°
• β: 91 ± 0.03°
• γ: 90°
• Cell volume: 1715.9 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0982
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for significantly intense reflections: 0.126
• Weighted residual factors for all reflections included in the refinement: 0.144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No