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Information card for entry 7156126
Preview
Coordinates | 7156126.cif |
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Original paper (by DOI) | HTML |
Formula | C26 H22 N2 O3 |
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Calculated formula | C26 H22 N2 O3 |
SMILES | O=CN1[C@@]2(Oc3c([C@H]([C@]41C(=O)N(CC)c1c4cccc1)C2)cccc3)c1ccccc1 |
Title of publication | Construction of bridged cyclic N,O-ketal spirooxindoles through a Michael addition/N,O-ketalization sequence. |
Authors of publication | Zhu, Yanshuo; Guo, Jia; Jin, Shaojing; Guo, Jiaomei; Bai, Xuguan; Wang, Qilin; Bu, Zhanwei |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2018 |
Journal volume | 16 |
Journal issue | 10 |
Pages of publication | 1751 - 1759 |
a | 10.4093 ± 0.0012 Å |
b | 6.2017 ± 0.0007 Å |
c | 15.4242 ± 0.0017 Å |
α | 90° |
β | 92.398 ± 0.002° |
γ | 90° |
Cell volume | 994.84 ± 0.19 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0366 |
Residual factor for significantly intense reflections | 0.0345 |
Weighted residual factors for significantly intense reflections | 0.0878 |
Weighted residual factors for all reflections included in the refinement | 0.0895 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.002 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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