Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1540425
Preview
| Coordinates | 1540425.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | (R,E)-4-methyl-2-((4-methyl-5-oxo-2,5- dihydrofuran-2-yloxy)methylene-1,2-dihydrocyclopenta[b]indol-3(4H)-one' |
|---|---|
| Formula | C18 H14 N O4 |
| Calculated formula | C18 H14 N O4 |
| SMILES | O(/C=C1\Cc2c3c(n(c2C1=O)C)cccc3)[C@@H]1OC(=O)C(=C1)C |
| Title of publication | Stereochemical Assignment of Strigolactone Analogues Confirms Their Selective Biological Activity. |
| Authors of publication | Artuso, Emma; Ghibaudi, Elena; Lace, Beatrice; Marabello, Domenica; Vinciguerra, Daniele; Lombardi, Chiara; Koltai, Hinanit; Kapulnik, Yoram; Novero, Mara; Occhiato, Ernesto G.; Scarpi, Dina; Parisotto, Stefano; Deagostino, Annamaria; Venturello, Paolo; Mayzlish-Gati, Einav; Bier, Ariel; Prandi, Cristina |
| Journal of publication | Journal of natural products |
| Year of publication | 2015 |
| Journal volume | 78 |
| Journal issue | 11 |
| Pages of publication | 2624 - 2633 |
| a | 6.8797 ± 0.0009 Å |
| b | 17.32 ± 0.002 Å |
| c | 26.023 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3100.8 ± 0.6 Å3 |
| Cell temperature | 295 K |
| Ambient diffraction temperature | 295 K |
| Number of distinct elements | 4 |
| Space group number | 20 |
| Hermann-Mauguin space group symbol | C 2 2 21 |
| Hall space group symbol | C 2c 2 |
| Residual factor for all reflections | 0.0774 |
| Residual factor for significantly intense reflections | 0.0566 |
| Weighted residual factors for significantly intense reflections | 0.1472 |
| Weighted residual factors for all reflections included in the refinement | 0.1828 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.093 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 170804 (current) | 2015-12-06 | cif/ Updating files of 1540425 Original log message: Adding full bibliography for 1540425.cif. |
1540425.cif |
| 169767 | 2015-10-28 | cif/ Adding structures of 1540425 via cif-deposit CGI script. |
1540425.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.