Information card for entry 7153829

Structure parameters

• Formula: C19 H20 N2
• Calculated formula: C19 H20 N2
• SMILES: C1(C(C(c2ccccc2)=NN1c1ccccc1)(C)C)C=C
• Title of publication: TEMPO-mediated allylic C-H amination with hydrazones.
• Authors of publication: Zhu, Xu; Chiba, Shunsuke
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2014
• Journal volume: 12
• Journal issue: 26
• Pages of publication: 4567 - 4570
• a: 8.7331 ± 0.0006 Å
• b: 14.7237 ± 0.0011 Å
• c: 11.9048 ± 0.0009 Å
• α: 90°
• β: 92.545 ± 0.003°
• γ: 90°
• Cell volume: 1529.25 ± 0.19 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0719
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1213
• Weighted residual factors for all reflections included in the refinement: 0.1448
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No