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Information card for entry 4037143
Preview
Coordinates | 4037143.cif |
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Original paper (by DOI) | HTML |
Common name | 1 |
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Formula | C22 H21 Cl3 F N O4 |
Calculated formula | C22 H21 Cl3 F N O4 |
SMILES | ClC(Cl)Cl.O[C@@H]1[C@]2(c3ccccc3N(C2=O)C)[C@@H](CC(=C1)c1ccc(F)cc1)CO.O |
Title of publication | N-Heterocyclic Carbene Catalytic [4 + 2] Cyclization of 3-Alkylenyloxindoles with Enals: γ-Carbon Activation for Enantioselective Assembly of Spirocarbocyclic Oxindoles. |
Authors of publication | Yao, Hong; Zhou, Yu; Chen, Xia; Zhang, Pengfei; Xu, Jinyi; Liu, Hong |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2016 |
Journal volume | 81 |
Journal issue | 19 |
Pages of publication | 8888 - 8899 |
a | 6.7332 ± 0.0004 Å |
b | 13.7973 ± 0.0009 Å |
c | 12.349 ± 0.0008 Å |
α | 90° |
β | 98.601 ± 0.005° |
γ | 90° |
Cell volume | 1134.32 ± 0.13 Å3 |
Cell temperature | 170 ± 2 K |
Ambient diffraction temperature | 170 ± 2 K |
Number of distinct elements | 6 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0801 |
Residual factor for significantly intense reflections | 0.0642 |
Weighted residual factors for significantly intense reflections | 0.1685 |
Weighted residual factors for all reflections included in the refinement | 0.18 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4037143.html
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