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Information card for entry 1563750
Preview
| Coordinates | 1563750.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C25 H29 N O3 |
|---|---|
| Calculated formula | C25 H29 N O3 |
| Title of publication | Assembly of Multicyclic Isoquinoline Scaffolds from Pyridines: Formal Total Synthesis of Fredericamycin A |
| Authors of publication | Wang, Fang-Xin; Yan, Jialei; Liu, Zhixin; Zhu, Tingshun; Liu, Yingguo; Ren, Shichao; Lv, Wen-Xin; Jin, Zhichao; Chi, Yonggui Robin |
| Journal of publication | Chemical Science |
| Year of publication | 2021 |
| a | 6.5078 ± 0.0007 Å |
| b | 6.7349 ± 0.0007 Å |
| c | 25.061 ± 0.003 Å |
| α | 88.115 ± 0.006° |
| β | 87.858 ± 0.006° |
| γ | 68.927 ± 0.005° |
| Cell volume | 1024 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.0998 |
| Residual factor for significantly intense reflections | 0.092 |
| Weighted residual factors for significantly intense reflections | 0.2722 |
| Weighted residual factors for all reflections included in the refinement | 0.2824 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.073 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 266757 (current) | 2021-06-29 | cif/ Adding structures of 1563749, 1563750 via cif-deposit CGI script. |
1563750.cif |
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Users of the data should acknowledge the original authors of the
structural data.