Information card for entry 1504057

Structure parameters

• Formula: C20 H19 N O4
• Calculated formula: C20 H19 N O4
• SMILES: O=N(=O)c1cccc(c1)/C=C(/C=C/c1ccccc1)\CC(=O)OCC
• Title of publication: Phosphine-mediated olefination between aldehydes and allenes: an efficient synthesis of trisubstituted 1,3-dienes with high E-selectivity.
• Authors of publication: Xu, Silong; Zhou, Lili; Zeng, San; Ma, Renqin; Wang, Zhihong; He, Zhengjie
• Journal of publication: Organic letters
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 15
• Pages of publication: 3498 - 3501
• a: 6.854 ± 0.002 Å
• b: 7.879 ± 0.002 Å
• c: 32.765 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1769.4 ± 0.9 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.1189
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.1033
• Weighted residual factors for all reflections included in the refinement: 0.1288
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No