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Information card for entry 7121843
Preview
| Coordinates | 7121843.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | FJ14-006 |
|---|---|
| Formula | C17 H28 O6 |
| Calculated formula | C17 H28 O6 |
| Title of publication | Asymmetric synthesis of the fully functionalized six-membered ring of trigoxyphin A. |
| Authors of publication | Feng, Jing; Yu, Tianzi; Zhang, Zhijiang; Li, Jinpeng; Fu, Shaomin; Chen, Juan; Liu, Bo |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2018 |
| Journal volume | 54 |
| Journal issue | 55 |
| Pages of publication | 7665 - 7668 |
| a | 7.6651 ± 0.0003 Å |
| b | 12.4842 ± 0.0006 Å |
| c | 18.5353 ± 0.0008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1773.69 ± 0.13 Å3 |
| Cell temperature | 170 ± 2 K |
| Ambient diffraction temperature | 170 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0374 |
| Residual factor for significantly intense reflections | 0.037 |
| Weighted residual factors for significantly intense reflections | 0.1103 |
| Weighted residual factors for all reflections included in the refinement | 0.1108 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.157 |
| Diffraction radiation wavelength | 1.54178 Å |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301860 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
7121843.cif |
| 228056 | 2019-11-17 | cif/ Updating files of 7121843, 7121844 Original log message: Adding full bibliography for 7121843--7121844.cif. |
7121843.cif |
| 208424 | 2018-06-16 | cif/ Adding structures of 7121843, 7121844 via cif-deposit CGI script. |
7121843.cif |
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Users of the data should acknowledge the original authors of the
structural data.