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Information card for entry 7117447
Preview
Coordinates | 7117447.cif |
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Original paper (by DOI) | HTML |
Formula | C22 H29 N O6 |
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Calculated formula | C22 H29 N O6 |
SMILES | O(C(=O)[C@H]1c2c(O[C@@H](OCC(C)C)C1)n(C(=O)OC(C)(C)C)c1c2cccc1)C |
Title of publication | The N,N'-dioxide/Ni(ii)-catalyzed asymmetric inverse-electron-demand hetero-Diels-Alder reaction of methyleneindolinones with hetero-substituted alkenes. |
Authors of publication | Zhou, Yuhang; Lin, Lili; Yin, Chengkai; Wang, Zhengmeng; Liu, Xiaohua; Feng, Xiaoming |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2015 |
Journal volume | 51 |
Journal issue | 58 |
Pages of publication | 11689 - 11692 |
a | 8.4147 ± 0.00008 Å |
b | 11.96874 ± 0.00011 Å |
c | 21.5473 ± 0.0002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2170.1 ± 0.04 Å3 |
Cell temperature | 121 ± 2 K |
Ambient diffraction temperature | 121 ± 2 K |
Number of distinct elements | 4 |
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 | 0.0469 |
Residual factor for significantly intense reflections | 0.0461 |
Weighted residual factors for significantly intense reflections | 0.1201 |
Weighted residual factors for all reflections included in the refinement | 0.1213 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7117447.html
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