Information card for entry 4034963
| Formula |
C34 H31 N3 O3 |
| Calculated formula |
C34 H31 N3 O3 |
| SMILES |
O=C1N(Cc2ccccc2)c2ccccc2[C@@]21O[C@@H](N[C@@]12c2ccccc2N(Cc2ccccc2)C1=O)C(C)C.O=C1N(Cc2ccccc2)c2ccccc2[C@]21O[C@H](N[C@]12c2ccccc2N(Cc2ccccc2)C1=O)C(C)C |
| Title of publication |
Solvent-Minimized, Chromatography-Free, Diastereoselective Synthesis of Oxazolidine-Dispirooxindoles via oxa-1,3-Dipolar Cycloaddition of 3-Oxindole. |
| Authors of publication |
Xia, Peng-Ju; Li, Jun; Qian, Yu-Lun; Zhao, Qing-Lan; Xiang, Hao-Yue; Xiao, Jun-An; Chen, Xiao-Qing; Yang, Hua |
| Journal of publication |
The Journal of organic chemistry |
| Year of publication |
2018 |
| Journal volume |
83 |
| Journal issue |
5 |
| Pages of publication |
2948 - 2953 |
| a |
9.4793 ± 0.0002 Å |
| b |
12.6384 ± 0.0003 Å |
| c |
13.2202 ± 0.0004 Å |
| α |
98.616 ± 0.002° |
| β |
92.833 ± 0.002° |
| γ |
107.212 ± 0.001° |
| Cell volume |
1488.43 ± 0.07 Å3 |
| Cell temperature |
293 ± 2 K |
| Ambient diffraction temperature |
293 ± 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 |
0.0984 |
| Residual factor for significantly intense reflections |
0.0813 |
| Weighted residual factors for significantly intense reflections |
0.2586 |
| Weighted residual factors for all reflections included in the refinement |
0.2718 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.063 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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https://www.crystallography.net/4034963.html
