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Information card for entry 4032951
Preview
Coordinates | 4032951.cif |
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Original paper (by DOI) | HTML |
Formula | C21 H21 N2 O6 |
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Calculated formula | C21 H20 N2 O6 |
SMILES | O=C1N(c2ccccc2[C@]21ON(=O)=C([C@H]2c1ccccc1)C(=O)OCC)COC.O=C1N(c2ccccc2[C@@]21ON(=O)=C([C@@H]2c1ccccc1)C(=O)OCC)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 | 9.196 ± 0.003 Å |
b | 10.447 ± 0.003 Å |
c | 11.724 ± 0.004 Å |
α | 91.395 ± 0.001° |
β | 110.283 ± 0.005° |
γ | 112.925 ± 0.006° |
Cell volume | 956.3 ± 0.5 Å3 |
Cell temperature | 113 ± 2 K |
Ambient diffraction temperature | 113 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0355 |
Residual factor for significantly intense reflections | 0.0335 |
Weighted residual factors for significantly intense reflections | 0.0919 |
Weighted residual factors for all reflections included in the refinement | 0.0933 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.933 |
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/4032951.html
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