Information card for entry 1512565

Structure parameters

• Formula: C19 H21 N O
• Calculated formula: C19 H21 N O
• SMILES: O=C(NC(c1ccccc1)=C(CC)C)c1ccc(cc1)C
• Title of publication: Copper-Mediated Amidation of Alkenylzirconocenes with Acyl Azides: Formation of Enamides
• Authors of publication: Liu, Hailan; Zhou, Yiqing; Yan, Xiaoyu; Chen, Chao; Liu, Qingbin; Xi, Chanjuan
• Journal of publication: Organic Letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 20
• Pages of publication: 5174
• a: 19.043 ± 0.004 Å
• b: 5.2281 ± 0.001 Å
• c: 16.532 ± 0.003 Å
• α: 90°
• β: 107.22 ± 0.03°
• γ: 90°
• Cell volume: 1572.1 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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 significantly intense reflections: 0.0976
• Weighted residual factors for significantly intense reflections: 0.2736
• Weighted residual factors for all reflections included in the refinement: 0.2934
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No