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Information card for entry 7121214
Preview
| Coordinates | 7121214.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C29 H29 N3 O5 |
|---|---|
| Calculated formula | C29 H29 N3 O5 |
| Title of publication | Diastereodivergent synthesis of bispirooxindoles via asymmetric Friedel-Crafts/aldol cascade reaction: co-catalyst effects on diastereoselective outcomes. |
| Authors of publication | Li, Nai-Kai; Fan, Wei-Tai; Zhang, Jun-Qi; Sun, Bing-Bing; Chen, Jun-Bo; Wang, Xing-Wang |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2018 |
| Journal volume | 54 |
| Journal issue | 18 |
| Pages of publication | 2260 - 2263 |
| a | 8.851 ± 0.005 Å |
| b | 10.081 ± 0.006 Å |
| c | 28.437 ± 0.014 Å |
| α | 90° |
| β | 91.989 ± 0.015° |
| γ | 90° |
| Cell volume | 2536 ± 2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.1351 |
| Residual factor for significantly intense reflections | 0.0579 |
| Weighted residual factors for significantly intense reflections | 0.0935 |
| Weighted residual factors for all reflections included in the refinement | 0.1057 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.17 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301860 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
7121214.cif |
| 228447 | 2019-11-17 | cif/ Updating files of 7121214, 7121215, 7121216 Original log message: Adding full bibliography for 7121214--7121216.cif. |
7121214.cif |
| 205931 | 2018-01-31 | cif/ Adding structures of 7121214, 7121215, 7121216 via cif-deposit CGI script. |
7121214.cif |
All data in the COD and the database itself are dedicated to the
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CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.