Information card for entry 7119649

Structure parameters

• Formula: C23 H20 Cl N O2
• Calculated formula: C23 H20 Cl N O2
• SMILES: Clc1cc([C@H]2[C@]3(C(=O)C(=O)N(C3)Cc3ccccc3)[C@H]3C=C[C@@H]2C3)ccc1
• Title of publication: N,N'-Dioxide/nickel(II)-catalyzed asymmetric Diels-Alder reaction of cyclopentadiene with 2,3-dioxopyrrolidines and 2=alkenoyl pyridines
• Authors of publication: Yan Lu; Yuhang Zhou; Lili Lin; Haifeng Zheng; Kai Fu; Xiaohua Liu; Xiaoming Feng
• Journal of publication: Chem.Commun.
• Year of publication: 2016
• Journal volume: 52
• Pages of publication: 8255
• a: 9.4627 ± 0.0002 Å
• b: 11.1519 ± 0.0003 Å
• c: 18.1676 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1917.17 ± 0.09 ų
• Cell temperature: 294.39 ± 0.1 K
• Ambient diffraction temperature: 294.39 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0509
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.1258
• Weighted residual factors for all reflections included in the refinement: 0.1296
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No