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Information card for entry 4032950
Preview
Coordinates | 4032950.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C23 H23 Cl N2 O6 |
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Calculated formula | C23 H23 Cl N2 O6 |
SMILES | Clc1cc2[C@]3(ON(=O)=C([C@@H]3c3ccccc3)C(=O)OC(C)(C)C)C(=O)N(c2cc1)COC.Clc1cc2[C@@]3(ON(=O)=C([C@H]3c3ccccc3)C(=O)OC(C)(C)C)C(=O)N(c2cc1)COC |
Title of publication | P(NMe2)3-Mediated Reductive (1 + 4) Annulation Reaction of Isatins with Nitroalkenes: An Access to Spirooxindolyl Isoxazoline N-Oxides and Their Corresponding Isoxazolines. |
Authors of publication | Liu, Yiyi; Li, Hengyu; Zhou, Xun; He, Zhengjie |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2017 |
Journal volume | 82 |
Journal issue | 20 |
Pages of publication | 10997 - 11007 |
a | 10.3699 ± 0.0003 Å |
b | 17.3809 ± 0.0005 Å |
c | 12.7667 ± 0.0003 Å |
α | 90° |
β | 96.43 ± 0.002° |
γ | 90° |
Cell volume | 2286.57 ± 0.11 Å3 |
Cell temperature | 294 ± 2 K |
Ambient diffraction temperature | 294.15 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0657 |
Residual factor for significantly intense reflections | 0.0533 |
Weighted residual factors for significantly intense reflections | 0.1544 |
Weighted residual factors for all reflections included in the refinement | 0.1643 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.091 |
Diffraction radiation probe | x-ray |
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/4032950.html
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Users of the data should acknowledge the original authors of the
structural data.