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Information card for entry 1565141
Preview
| Coordinates | 1565141.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C29 H30 Cl O4 P |
|---|---|
| Calculated formula | C29 H30 Cl O4 P |
| SMILES | Clc1ccc2c(c1)c(=O)c(P(=O)(OCC)OCC)c(c1c2ccc(c1)C(C)(C)C)c1ccccc1 |
| 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 | 12.1391 ± 0.0008 Å |
| b | 13.8283 ± 0.0009 Å |
| c | 17.2219 ± 0.001 Å |
| α | 90° |
| β | 110.584 ± 0.002° |
| γ | 90° |
| Cell volume | 2706.4 ± 0.3 Å3 |
| Cell temperature | 176 ± 2 K |
| Ambient diffraction temperature | 176 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0785 |
| Residual factor for significantly intense reflections | 0.0562 |
| Weighted residual factors for significantly intense reflections | 0.2014 |
| Weighted residual factors for all reflections included in the refinement | 0.2179 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.093 |
| 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. |
1565141.cif |
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Users of the data should acknowledge the original authors of the
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