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Information card for entry 4033133
Preview
Coordinates | 4033133.cif |
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Original paper (by DOI) | HTML |
Formula | C25 H27 N O7 |
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Calculated formula | C25 H27 N O7 |
SMILES | N1C(CC(=C\C(=O)OCc2ccccc2)/C1c1ccccc1O)(C(=O)OCC)C(=O)OCC |
Title of publication | Hydroxy-Assisted Regio- and Stereoselective Synthesis of Functionalized 4-Methylenepyrrolidine Derivatives via Phosphine-Catalyzed [3 + 2] Cycloaddition of Allenoates with o-Hydroxyaryl Azomethine Ylides. |
Authors of publication | Huang, Zhusheng; Bao, Yishu; Zhang, Yu; Yang, Fulai; Lu, Tao; Zhou, Qingfa |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2017 |
Journal volume | 82 |
Journal issue | 23 |
Pages of publication | 12726 - 12734 |
a | 11.495 ± 0.002 Å |
b | 17.271 ± 0.004 Å |
c | 12.383 ± 0.003 Å |
α | 90° |
β | 101.31 ± 0.03° |
γ | 90° |
Cell volume | 2410.7 ± 0.9 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 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 | 0.422 |
Residual factor for significantly intense reflections | 0.1642 |
Weighted residual factors for significantly intense reflections | 0.2729 |
Weighted residual factors for all reflections included in the refinement | 0.3796 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.191 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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