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Information card for entry 7151973
Preview
| Coordinates | 7151973.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | chromene |
|---|---|
| Formula | C11 H16 O4 |
| Calculated formula | C11 H16 O4 |
| SMILES | O1C(=O)C[C@@H](C(=O)O)[C@H]2[C@@H]1C[C@@H](CC2)C.O1C(=O)C[C@H](C(=O)O)[C@@H]2[C@H]1C[C@H](CC2)C |
| Title of publication | Regio- and stereoselective selenium dioxide allylic oxidation of (E)-dialkyl alkylidenesuccinates to (Z)-allylic alcohols: Synthesis of natural and unnatural butenolides. |
| Authors of publication | Patel, Ramesh M.; Puranik, Vedavati G.; Argade, Narshinha P. |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2011 |
| Journal volume | 9 |
| Journal issue | 18 |
| Pages of publication | 6312 - 6322 |
| a | 10.4595 ± 0.001 Å |
| b | 8.2649 ± 0.0008 Å |
| c | 13.4821 ± 0.0013 Å |
| α | 90° |
| β | 110.602 ± 0.002° |
| γ | 90° |
| Cell volume | 1090.95 ± 0.18 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0495 |
| Residual factor for significantly intense reflections | 0.0395 |
| Weighted residual factors for significantly intense reflections | 0.0998 |
| Weighted residual factors for all reflections included in the refinement | 0.1071 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| 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. |
7151973.cif |
| 180305 | 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 7/15/19. |
7151973.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7151973.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7151973.cif |
| 27485 | 2011-10-03 | ../uploads/cif-deposit/cod/cif Adding structures of 7151970, 7151971, 7151972, 7151973 via cif-deposit CGI script. |
7151973.cif |
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