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Information card for entry 7207894
Preview
Coordinates | 7207894.cif |
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Original paper (by DOI) | HTML |
Formula | C29 H33 Cl N2 O4 |
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Calculated formula | C29 H33 Cl N2 O4 |
SMILES | Clc1c2c(ccc1)N(C(=O)C12C(=C/C(=N/C(C)(C)CC(C)(C)C)O1)C(=O)OCC)Cc1ccccc1 |
Title of publication | Atom-economical synthesis of the functionalized spirocyclic oxindole-butenolide via three-component [2 + 2 + 1] cycloaddition strategy |
Authors of publication | Li, Jian; Liu, Yuejin; Li, Chunju; Jie, Haohua; Jia, Xueshun |
Journal of publication | Green Chemistry |
Year of publication | 2012 |
Journal volume | 14 |
Journal issue | 5 |
Pages of publication | 1314 |
a | 8.897 ± 0.011 Å |
b | 12.592 ± 0.016 Å |
c | 13.863 ± 0.017 Å |
α | 99.404 ± 0.016° |
β | 108.029 ± 0.017° |
γ | 95.241 ± 0.018° |
Cell volume | 1440 ± 3 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1203 |
Residual factor for significantly intense reflections | 0.0708 |
Weighted residual factors for significantly intense reflections | 0.1741 |
Weighted residual factors for all reflections included in the refinement | 0.2046 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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