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Information card for entry 7205546
Preview
| Coordinates | 7205546.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C18 H22 O6 |
|---|---|
| Calculated formula | C18 H22 O6 |
| SMILES | C1(=O)C2=C[C@H]3[C@H]([C@H]4C(=C[C@@H]3C4)C(=O)OCCOCCOCCO1)C2.C1(=O)C2=C[C@@H]3[C@@H]([C@@H]4C(=C[C@H]3C4)C(=O)OCCOCCOCCO1)C2 |
| Title of publication | The return of photoelastic stress measurements: utilizing birefringence to monitor damage and repair in healable materials |
| Authors of publication | Murphy, Erin B. |
| Journal of publication | Journal of Materials Chemistry |
| Year of publication | 2011 |
| Journal volume | 21 |
| Journal issue | 5 |
| Pages of publication | 1438 |
| a | 6.2605 ± 0.0007 Å |
| b | 29.481 ± 0.004 Å |
| c | 8.9958 ± 0.001 Å |
| α | 90° |
| β | 92.235 ± 0.003° |
| γ | 90° |
| Cell volume | 1659.1 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0929 |
| Residual factor for significantly intense reflections | 0.0527 |
| Weighted residual factors for significantly intense reflections | 0.1255 |
| Weighted residual factors for all reflections included in the refinement | 0.1503 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.936 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301863 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/20/ Each referenced PubChem compound corresponds to the full crystal structure. |
7205546.cif |
| 180386 | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/55. |
7205546.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7205546.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7205546.cif |
| 14931 | 2011-03-11 | ../uploads/cif-deposit/cod/cif Adding structures of 7205546 via cif-deposit CGI script. |
7205546.cif |
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Users of the data should acknowledge the original authors of the
structural data.