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Information card for entry 7153503
Preview
| Coordinates | 7153503.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C14 H10 O4 |
|---|---|
| Calculated formula | C14 H10 O4 |
| SMILES | C12(C(=O)c3ccccc3C(=O)C1)C=C(C(=O)O2)C |
| Title of publication | Diels-Alder cycloaddition of o-quinonedimethides and alkylidene-5H-furan-2-ones: new and rapid access to lambertellol cores and arthrinone derivatives. |
| Authors of publication | Blanc, Romain; Héran, Virginie; Rahmani, Raphaël; Commeiras, Laurent; Parrain, Jean-Luc |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2010 |
| Journal volume | 8 |
| Journal issue | 24 |
| Pages of publication | 5490 - 5494 |
| a | 11.0794 ± 0.0003 Å |
| b | 5.2878 ± 0.0001 Å |
| c | 19.8876 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1165.13 ± 0.05 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 29 |
| Hermann-Mauguin space group symbol | P c a 21 |
| Hall space group symbol | P 2c -2ac |
| Residual factor for all reflections | 0.051 |
| Residual factor for significantly intense reflections | 0.0408 |
| Weighted residual factors for significantly intense reflections | 0.0865 |
| Weighted residual factors for all reflections included in the refinement | 0.0923 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.121 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| 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. |
7153503.cif |
| 180321 | 2016-03-26 | cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/35. |
7153503.cif |
| 93802 | 2014-01-13 | cif/ Adding structures of 7153501, 7153502, 7153503 via cif-deposit CGI script. |
7153503.cif |
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Users of the data should acknowledge the original authors of the
structural data.