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Information card for entry 1547480
Preview
| Coordinates | 1547480.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H22 O4 |
|---|---|
| Calculated formula | C18 H22 O4 |
| SMILES | O=C1C[C@@]2([C@H](C1)[C@]13CC(=O)C=C[C@H]1[C@@]3(CC12OCCO1)C)C |
| Title of publication | Enantioselective Synthesis of the 5-6-7 Carbocyclic Core of the Gagunin Diterpenoids |
| Authors of publication | Shibuya, Grant M.; Enquist, John A., Jr.; Stoltz, Brian M. |
| Journal of publication | Organic Letters |
| Year of publication | 2013 |
| Journal volume | 15 |
| Pages of publication | 3480 - 3483 |
| a | 7.1115 ± 0.0003 Å |
| b | 8.2413 ± 0.0004 Å |
| c | 26.074 ± 0.0011 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1528.15 ± 0.12 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 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 | 0.0605 |
| Residual factor for significantly intense reflections | 0.0487 |
| Weighted residual factors for significantly intense reflections | 0.0732 |
| Weighted residual factors for all reflections included in the refinement | 0.0743 |
| Goodness-of-fit parameter for all reflections included in the refinement | 2.066 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201510 (current) | 2017-09-29 | cif/ Adding structures of 1547480 via cif-deposit CGI script. |
1547480.cif |
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