Information card for entry 7127215

Structure parameters

• Formula: C19 H17 N O4
• Calculated formula: C19 H17 N O4
• SMILES: O1C(=O)c2c(N(C(=O)OCC=C(C1)c1ccccc1)C)cccc2
• Title of publication: Palladium-catalysed cyclisation of vinylethylene carbonates and anhydrides: a new approach to diverse medium-sized bislactones.
• Authors of publication: Dai, Qing-Song; Tao, Ying-Mao; Zhang, Xiang; Leng, Hai-Jun; Huang, Hua; Xiang, Peng; Li, Qing-Zhu; Wang, Qi-Wei; Li, Jun-Long
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 82
• Pages of publication: 12439 - 12442
• a: 15.6331 ± 0.0007 Å
• b: 8.0735 ± 0.0003 Å
• c: 12.5699 ± 0.0004 Å
• α: 90°
• β: 92.556 ± 0.003°
• γ: 90°
• Cell volume: 1584.92 ± 0.11 ų
• Cell temperature: 294 ± 1 K
• Ambient diffraction temperature: 294 ± 1 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: 0.0845
• Residual factor for significantly intense reflections: 0.0698
• Weighted residual factors for significantly intense reflections: 0.1807
• Weighted residual factors for all reflections included in the refinement: 0.204
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No