Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1503700
Preview
| Coordinates | 1503700.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | TF5 |
|---|---|
| Formula | C45 H33 Cl3 O12 |
| Calculated formula | C45 H33 Cl3 O12 |
| SMILES | C1(C2C(=C(CC1)c1cc3cc(c(cc3o1)O)C(=O)C)Oc1c2cc(c(c1)O)C(=O)C)(c1cc2cc(c(cc2o1)O)C(=O)C)c1cc2cc(c(cc2o1)O)C(=O)C.C(Cl)(Cl)Cl |
| Title of publication | Laetirobin from the parasitic growth of Laetiporus sulphureus on Robinia pseudoacacia. |
| Authors of publication | Lear, Martin J.; Simon, Oliver; Foley, Timothy L.; Burkart, Michael D.; Baiga, Thomas J.; Noel, Joseph P.; DiPasquale, Antonio G.; Rheingold, Arnold L.; La Clair, James J. |
| Journal of publication | Journal of natural products |
| Year of publication | 2009 |
| Journal volume | 72 |
| Journal issue | 11 |
| Pages of publication | 1980 - 1987 |
| a | 10.8711 ± 0.001 Å |
| b | 13.8138 ± 0.0012 Å |
| c | 14.0844 ± 0.0013 Å |
| α | 112.142 ± 0.006° |
| β | 90.894 ± 0.006° |
| γ | 94.006 ± 0.006° |
| Cell volume | 1952.3 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0971 |
| Residual factor for significantly intense reflections | 0.0694 |
| Weighted residual factors for significantly intense reflections | 0.1746 |
| Weighted residual factors for all reflections included in the refinement | 0.1971 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.987 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301775 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/50 Each referenced PubChem compound corresponds to the full crystal structure. |
1503700.cif |
| 204147 | 2017-12-11 | cif/ Correcting the '_space_group.centring_type' data item enumeration values with the help of the cif_fix_values script from the cod-tools package revision 5887. |
1503700.cif |
| 176729 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1503700.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1503700.cif |
| 38999 | 2012-03-07 | ../uploads/cif-deposit/cod/cif Adding structures of 1503700 via cif-deposit CGI script. |
1503700.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.