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Information card for entry 1554995
Preview
Coordinates | 1554995.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C23 H18 Cl N O2 |
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Calculated formula | C23 H18 Cl N O2 |
SMILES | Clc1ccc(N2O[C@@H]3[C@H]([C@@H]2c2ccccc2)[C@@H]2O[C@H]3c3c2cccc3)cc1.Clc1ccc(N2O[C@H]3[C@@H]([C@H]2c2ccccc2)[C@H]2O[C@@H]3c3c2cccc3)cc1 |
Title of publication | 1,3-Dipolar cycloaddition of nitrones to oxa(aza)bicyclic alkenes |
Authors of publication | Yao, Yongqi; Yang, Wen; Lin, Qifu; Yang, Weitao; Li, Huanyong; Wang, Lin; Gu, Fenglong; Yang, Dingqiao |
Journal of publication | Organic Chemistry Frontiers |
Year of publication | 2019 |
Journal volume | 6 |
Journal issue | 19 |
Pages of publication | 3360 |
a | 9.2832 ± 0.0007 Å |
b | 10.0044 ± 0.0007 Å |
c | 11.107 ± 0.0009 Å |
α | 87.027 ± 0.006° |
β | 65.546 ± 0.008° |
γ | 82.335 ± 0.006° |
Cell volume | 930.61 ± 0.14 Å3 |
Cell temperature | 173 ± 13 K |
Ambient diffraction temperature | 173 ± 13 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 | 0.0775 |
Residual factor for significantly intense reflections | 0.0584 |
Weighted residual factors for significantly intense reflections | 0.1265 |
Weighted residual factors for all reflections included in the refinement | 0.1381 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/1554995.html
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