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Information card for entry 4123941
Preview
Coordinates | 4123941.cif |
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Original paper (by DOI) | HTML |
Formula | C34 H33 N O5 S |
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Calculated formula | C34 H33 N O5 S |
SMILES | N1(S(=O)(=O)c2ccccc2)C(=O)C2(C(=C(C3(C(=O)CC(CC3=O)(C)C)C2)c2ccc(cc2)C)c2c1ccc(c2)C)C |
Title of publication | Catalytic Dual 1,1-H-Abstraction/Insertion for Domino Spirocyclizations. |
Authors of publication | Qiu, Jiang-Kai; Jiang, Bo; Zhu, Yi-Long; Hao, Wen-Juan; Wang, De-Cai; Sun, Jun; Wei, Ping; Tu, Shu-Jiang; Li, Guigen |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2015 |
Journal volume | 137 |
Journal issue | 28 |
Pages of publication | 8928 - 8931 |
a | 9.1694 ± 0.0002 Å |
b | 10.3934 ± 0.0002 Å |
c | 15.8101 ± 0.0003 Å |
α | 93.078 ± 0.001° |
β | 96.205 ± 0.001° |
γ | 94.987 ± 0.001° |
Cell volume | 1489.19 ± 0.05 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 | 0.0509 |
Residual factor for significantly intense reflections | 0.0435 |
Weighted residual factors for significantly intense reflections | 0.1189 |
Weighted residual factors for all reflections included in the refinement | 0.126 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4123941.html
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Users of the data should acknowledge the original authors of the
structural data.