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Information card for entry 4037469
Preview
Coordinates | 4037469.cif |
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Original paper (by DOI) | HTML |
Formula | C19 H15 Br N2 O3 |
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Calculated formula | C19 H15 Br N2 O3 |
SMILES | Brc1ccc(cc1)[C@H]1[C@]2(N(C=O)C(=O)C1)c1c(N(C)C2=O)cccc1 |
Title of publication | Organocatalytic Enantioselective Michael/Cyclization Domino Reaction between 3-Amideoxindoles and α,β-Unsaturated Aldehydes: One-Pot Preparation of Chiral Spirocyclic Oxindole-γ-lactams. |
Authors of publication | Yang, Peng; Wang, Xiao; Chen, Feng; Zhang, Zheng-Bing; Chen, Chao; Peng, Lin; Wang, Li-Xin |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2017 |
Journal volume | 82 |
Journal issue | 7 |
Pages of publication | 3908 - 3916 |
a | 20.8688 ± 0.0006 Å |
b | 20.8688 ± 0.0006 Å |
c | 12.2249 ± 0.0004 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 4610.7 ± 0.2 Å3 |
Cell temperature | 290 ± 2 K |
Ambient diffraction temperature | 290 ± 2 K |
Number of distinct elements | 5 |
Space group number | 146 |
Hermann-Mauguin space group symbol | R 3 :H |
Hall space group symbol | R 3 |
Residual factor for all reflections | 0.0266 |
Residual factor for significantly intense reflections | 0.0264 |
Weighted residual factors for significantly intense reflections | 0.071 |
Weighted residual factors for all reflections included in the refinement | 0.0713 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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