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Information card for entry 7230562
Preview
| Coordinates | 7230562.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C31 H25 Cl2 N O2 |
|---|---|
| Calculated formula | C31 H25 Cl2 N O2 |
| Title of publication | Diastereoselective construction of 4-indole substituted chromans bearing a ketal motif through a three-component Friedel–Crafts alkylation/ketalization sequence |
| Authors of publication | Guo, Jiao-Mei; Wang, Wen-Bo; Guo, Jia; Zhu, Yan-Shuo; Bai, Xu-Guan; Jin, Shao-Jing; Wang, Qi-Lin; Bu, Zhan-Wei |
| Journal of publication | RSC Advances |
| Year of publication | 2018 |
| Journal volume | 8 |
| Journal issue | 28 |
| Pages of publication | 15641 |
| a | 9.3851 ± 0.0006 Å |
| b | 11.5543 ± 0.0008 Å |
| c | 12.0921 ± 0.0008 Å |
| α | 95.088 ± 0.001° |
| β | 91.155 ± 0.001° |
| γ | 104.026 ± 0.001° |
| Cell volume | 1265.96 ± 0.15 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 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 | 0.0513 |
| Residual factor for significantly intense reflections | 0.0375 |
| Weighted residual factors for significantly intense reflections | 0.0992 |
| Weighted residual factors for all reflections included in the refinement | 0.107 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7230562.cif |
| 207479 | 2018-04-25 | cif/ Adding structures of 7230562 via cif-deposit CGI script. |
7230562.cif |
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Users of the data should acknowledge the original authors of the
structural data.