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Information card for entry 7239265
Preview
| Coordinates | 7239265.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C28 H28 Br N3 O3 S |
|---|---|
| Calculated formula | C28 H28 Br N3 O3 S |
| Title of publication | In(OTf)3-catalyzed chemoselective alkylation of tryptamines with 2-oxo-1-pyrrolidine derivatives |
| Authors of publication | Zi, You; Chu, Xue-Qiang; Lu, Xin-Mou; Wang, Shun-Yi; Ji, Shun-Jun |
| Journal of publication | RSC Adv. |
| Year of publication | 2014 |
| Journal volume | 4 |
| Journal issue | 9 |
| Pages of publication | 4609 |
| a | 11.1078 ± 0.0018 Å |
| b | 20.351 ± 0.003 Å |
| c | 12.354 ± 0.002 Å |
| α | 90° |
| β | 110.522 ± 0.004° |
| γ | 90° |
| Cell volume | 2615.5 ± 0.7 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1546 |
| Residual factor for significantly intense reflections | 0.0911 |
| Weighted residual factors for significantly intense reflections | 0.1685 |
| Weighted residual factors for all reflections included in the refinement | 0.1954 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.104 |
| Diffraction radiation wavelength | 0.7107 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. |
7239265.cif |
| 244625 | 2019-11-28 | cif/ Adding structures of 7239265, 7239266 via cif-deposit CGI script. |
7239265.cif |
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Users of the data should acknowledge the original authors of the
structural data.