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Information card for entry 1544475
Preview
| Coordinates | 1544475.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H36 O7 |
|---|---|
| Calculated formula | C22 H36 O7 |
| Title of publication | Micromonohalimanes A and B: Antibacterial Halimane-Type Diterpenoids from a Marine Micromonospora Species |
| Authors of publication | Zhang, Yan; Adnani, Navid; Braun, Doug R.; Ellis, Gregory A.; Barns, Kenneth J.; Parker-Nance, Shirley; Guzei, Ilia A.; Bugni, Tim S. |
| Journal of publication | Journal of Natural Products |
| Year of publication | 2016 |
| a | 9.2381 ± 0.0005 Å |
| b | 6.9763 ± 0.0006 Å |
| c | 16.891 ± 0.0008 Å |
| α | 90° |
| β | 90.987 ± 0.003° |
| γ | 90° |
| Cell volume | 1088.43 ± 0.12 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100.01 K |
| Number of distinct elements | 3 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0301 |
| Residual factor for significantly intense reflections | 0.0297 |
| Weighted residual factors for significantly intense reflections | 0.0786 |
| Weighted residual factors for all reflections included in the refinement | 0.079 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 187822 (current) | 2016-11-05 | cif/ Adding structures of 1544475 via cif-deposit CGI script. |
1544475.cif |
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Users of the data should acknowledge the original authors of the
structural data.