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Information card for entry 7155240
Preview
| Coordinates | 7155240.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | (1S,6S,7S,8R)-8-Butyl-7-((3,5-dinitrobenzoyl)oxymethyl)bicyclo[4.3.0]non-3-ene |
|---|---|
| Formula | C21 H26 N2 O6 |
| Calculated formula | C21 H26 N2 O6 |
| Title of publication | Total synthesis based on the originally claimed structure of mucosin. |
| Authors of publication | Gallantree-Smith, Harrison C; Antonsen, Simen G.; Görbitz, Carl H; Hansen, Trond V.; Nolsøe, Jens M J; Stenstrøm, Yngve H |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2016 |
| Journal volume | 14 |
| Journal issue | 36 |
| Pages of publication | 8433 - 8437 |
| a | 10.866 ± 0.005 Å |
| b | 5.196 ± 0.002 Å |
| c | 18.617 ± 0.01 Å |
| α | 90° |
| β | 106.703 ± 0.011° |
| γ | 90° |
| Cell volume | 1006.8 ± 0.8 Å3 |
| Cell temperature | 110 ± 2 K |
| Ambient diffraction temperature | 110 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.1009 |
| Residual factor for significantly intense reflections | 0.0854 |
| Weighted residual factors for significantly intense reflections | 0.215 |
| Weighted residual factors for all reflections included in the refinement | 0.2246 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301861 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/15/ Each referenced PubChem compound corresponds to the full crystal structure. |
7155240.cif |
| 187190 | 2016-10-08 | cif/ Updating files of 7155240 Original log message: Adding full bibliography for 7155240.cif. |
7155240.cif |
| 185729 | 2016-08-10 | cif/ Adding structures of 7155240 via cif-deposit CGI script. |
7155240.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.