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Information card for entry 7232151
Preview
| Coordinates | 7232151.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C24 H26 N2 O8 S |
|---|---|
| Calculated formula | C24 H26 N2 O8 S |
| Title of publication | Phosphine-Promoted [4 + 3] Annulation of Allenoate with Aziridines for Synthesis of Tetrahydroazepines: Phosphine-Dependent [3 + 3] and [4 + 3] Pathways. |
| Authors of publication | Liu, Honglei; Lin, Yan; Zhao, Yan; Xiao, Miaoren; Zhou, Leijie; Wang, Qijun; Zhang, Cheng; Wang, Dongqi; Kwon, Ohyun; Guo, Hongchao |
| Journal of publication | RSC advances |
| Year of publication | 2019 |
| Journal volume | 9 |
| Journal issue | 3 |
| Pages of publication | 1214 - 1221 |
| a | 10.136 ± 0.003 Å |
| b | 10.925 ± 0.003 Å |
| c | 11.309 ± 0.003 Å |
| α | 104.454 ± 0.003° |
| β | 109.13 ± 0.003° |
| γ | 91.112 ± 0.004° |
| Cell volume | 1138.7 ± 0.6 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 | 0.0526 |
| Residual factor for significantly intense reflections | 0.0386 |
| Weighted residual factors for significantly intense reflections | 0.0926 |
| Weighted residual factors for all reflections included in the refinement | 0.1001 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| 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. |
7232151.cif |
| 225354 | 2019-11-08 | cif/ Updating files of 7232151 Original log message: Adding full bibliography for 7232151.cif. |
7232151.cif |
| 213002 | 2019-01-11 | cif/ Adding structures of 7232151 via cif-deposit CGI script. |
7232151.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.