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Information card for entry 1565142
Preview
| Coordinates | 1565142.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23 H18 O3 |
|---|---|
| Calculated formula | C23 H18 O3 |
| SMILES | O=c1c2ccccc2c2c(c(c1)c1ccccc1)c(OC)cc(OC)c2 |
| Title of publication | Dibenzocycloheptanones construction through a removable P-centered radical: Synthesis of allocolchicine analogues |
| Authors of publication | Zhang, Yan; Cai, Zhenzhi; Struwe, Julia; Ma, Chanchan; Zhu, Gangguo; Liao, Xinyi; Xu, Min; Ackermann, Lutz |
| Journal of publication | Chemical Science |
| Year of publication | 2021 |
| a | 22.885 ± 0.005 Å |
| b | 8.4172 ± 0.0017 Å |
| c | 9.374 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1805.7 ± 0.8 Å3 |
| Cell temperature | 273 ± 2 K |
| Ambient diffraction temperature | 273 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.0379 |
| Residual factor for significantly intense reflections | 0.0333 |
| Weighted residual factors for significantly intense reflections | 0.0898 |
| Weighted residual factors for all reflections included in the refinement | 0.0942 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.014 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 270545 (current) | 2021-11-10 | cif/ Adding structures of 1565141, 1565142 via cif-deposit CGI script. |
1565142.cif |
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Users of the data should acknowledge the original authors of the
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