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Information card for entry 1554929
Preview
| Coordinates | 1554929.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C14 H18 O5 |
|---|---|
| Calculated formula | C14 H18 O5 |
| SMILES | O([C@]12[C@]3(C(=O)OC[C@@H]1CC3)CC(=O)CCC2)C(=O)C.O([C@@]12[C@@]3(C(=O)OC[C@H]1CC3)CC(=O)CCC2)C(=O)C |
| Title of publication | Domino enyne metathesis en route to skeletally diverse, privileged scaffolds: synthesis of the tricyclic core of pseudolaric acid F |
| Authors of publication | Lin, Minggui; Cui, Hao; Hua, Yuhui; Zhang, Yandong |
| Journal of publication | Organic Chemistry Frontiers |
| Year of publication | 2019 |
| Journal volume | 6 |
| Journal issue | 15 |
| Pages of publication | 2771 |
| a | 7.3423 ± 0.001 Å |
| b | 8.4321 ± 0.0009 Å |
| c | 10.4623 ± 0.0011 Å |
| α | 85.681 ± 0.008° |
| β | 85.985 ± 0.01° |
| γ | 78.332 ± 0.01° |
| Cell volume | 631.55 ± 0.13 Å3 |
| Cell temperature | 185.1 ± 0.6 K |
| Ambient diffraction temperature | 185.1 ± 0.6 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0525 |
| Residual factor for significantly intense reflections | 0.0443 |
| Weighted residual factors for significantly intense reflections | 0.1051 |
| Weighted residual factors for all reflections included in the refinement | 0.11 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301780 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure. |
1554929.cif |
| 238215 | 2019-11-24 | cif/ Adding structures of 1554927, 1554928, 1554929 via cif-deposit CGI script. |
1554929.cif |
All data in the COD and the database itself are dedicated to the
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.
Users of the data should acknowledge the original authors of the
structural data.