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Information card for entry 7118278
Preview
Coordinates | 7118278.cif |
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Original paper (by DOI) | HTML |
Formula | C30 H25 F N2 O3 S |
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Calculated formula | C30 H25 F N2 O3 S |
SMILES | S(=O)(=O)(Nc1cc2[C@@H]([C@H](Oc2cc1)c1cn(C)c2ccc(F)cc12)c1ccccc1)c1ccc(cc1)C |
Title of publication | Diastereo- and enantioselective construction of an indole-based 2,3-dihydrobenzofuran scaffold via catalytic asymmetric [3+2] cyclizations of quinone monoimides with 3-vinylindoles. |
Authors of publication | Sun, Xiao-Xue; Zhang, Hong-Hao; Li, Guo-Hao; Meng, Li; Shi, Feng |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2016 |
Journal volume | 52 |
Journal issue | 14 |
Pages of publication | 2968 - 2971 |
a | 5.552 ± 0.003 Å |
b | 17.133 ± 0.008 Å |
c | 13.413 ± 0.006 Å |
α | 90° |
β | 93.446 ± 0.007° |
γ | 90° |
Cell volume | 1273.6 ± 1.1 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296.15 K |
Number of distinct elements | 6 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.1099 |
Residual factor for significantly intense reflections | 0.0785 |
Weighted residual factors for significantly intense reflections | 0.2076 |
Weighted residual factors for all reflections included in the refinement | 0.2371 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
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/7118278.html
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Users of the data should acknowledge the original authors of the
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