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Information card for entry 7156054
Preview
Coordinates | 7156054.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C31 H23 Br F N3 O4 |
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Calculated formula | C31 H23 Br F N3 O4 |
SMILES | Fc1c(ccc(Br)c1)[C@H]1[C@]2([C@H](c3c(cccc3)OC2)[C@@]2(c3c(cccc3)N(C2=O)Cc2ccccc2)N1)N(=O)=O |
Title of publication | Organocatalytic [3 + 2] cycloaddition of oxindole-based azomethine ylides with 3-nitrochromenes: a facile approach to enantioenriched polycyclic spirooxindole-chromane adducts. |
Authors of publication | Wu, Shiqi; Zhu, Guodong; Wei, Shiqiang; Chen, Hongbo; Qu, Jingping; Wang, Baomin |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2018 |
Journal volume | 16 |
Journal issue | 5 |
Pages of publication | 807 - 815 |
a | 9.608 ± 0.004 Å |
b | 9.984 ± 0.005 Å |
c | 28.09 ± 0.013 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2695 ± 2 Å3 |
Cell temperature | 299 ± 2 K |
Ambient diffraction temperature | 299 ± 2 K |
Number of distinct elements | 6 |
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 | 0.0573 |
Residual factor for significantly intense reflections | 0.0521 |
Weighted residual factors for significantly intense reflections | 0.1377 |
Weighted residual factors for all reflections included in the refinement | 0.1414 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
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/7156054.html
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Users of the data should acknowledge the original authors of the
structural data.