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Information card for entry 7249550
Preview
| Coordinates | 7249550.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C35 H29 Br N4 O3 S |
|---|---|
| Calculated formula | C35 H29 Br N4 O3 S |
| Title of publication | EtOH-mediated cascade C(sp3)–H alkylation via aromatization-driven [1,6]-hydride transfer: green and divergent synthesis of spirocyclic azepino[4,3,2-cd]indoles |
| Authors of publication | Shen, Yao-Bin; Zhuang, Qian-Hao; Wang, Xiao-Lin; An, Xiao-De; Qiu, Bin; Shi, Tiesheng; Xiao, Jian |
| Journal of publication | Green Chemistry |
| Year of publication | 2024 |
| a | 11.497 ± 0.0008 Å |
| b | 12.2004 ± 0.0008 Å |
| c | 12.3148 ± 0.0008 Å |
| α | 78.604 ± 0.002° |
| β | 66.263 ± 0.002° |
| γ | 73.732 ± 0.002° |
| Cell volume | 1510.84 ± 0.18 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0762 |
| Residual factor for significantly intense reflections | 0.0502 |
| Weighted residual factors for significantly intense reflections | 0.1216 |
| Weighted residual factors for all reflections included in the refinement | 0.1324 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 295789 (current) | 2024-11-06 | cif/ Adding structures of 7249547, 7249548, 7249549, 7249550 via cif-deposit CGI script. |
7249550.cif |
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Users of the data should acknowledge the original authors of the
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