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Information card for entry 1519232
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| Coordinates | 1519232.cif |
|---|
| Formula | C25 H30 O7 |
|---|---|
| Calculated formula | C25 H30 O7 |
| SMILES | O(c1c(OC)cc2c([C@H]3OC[C@@H]4[C@H](OC[C@]34OC2(C)C)c2ccc(OC)c(OC)c2)c1)C |
| Title of publication | C25H30O7 |
| Authors of publication | Ward, Robert S.; Light, Mark E.; Hursthouse, Michael B. |
| Journal of publication | Crystal Structure Report Archive |
| Year of publication | 1999 |
| Pages of publication | 741 |
| a | 9.2535 ± 0.0003 Å |
| b | 13.1779 ± 0.0004 Å |
| c | 9.6444 ± 0.0002 Å |
| α | 90° |
| β | 113.149 ± 0.001° |
| γ | 90° |
| Cell volume | 1081.37 ± 0.05 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0445 |
| Residual factor for significantly intense reflections | 0.0369 |
| Weighted residual factors for significantly intense reflections | 0.0817 |
| Weighted residual factors for all reflections included in the refinement | 0.0855 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 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. |
1519232.cif |
| 135550 | 2015-05-05 | cif/ Adding structures of 1519232 via cif-deposit CGI script. |
1519232.cif |
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.
Users of the data should acknowledge the original authors of the
structural data.