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Information card for entry 1557573
Preview
| Coordinates | 1557573.cif |
|---|---|
| Structure factors | 1557573.hkl |
| Original IUCr paper | HTML |
| Chemical name | 12,15-Dimethyl-8-oxatetracyclo[8.8.0.0^2,7^.0^11,16^]octadeca-1(18),2,4,6,11(16),12,14-heptaen-10-ol |
|---|---|
| Formula | C19 H18 O2 |
| Calculated formula | C19 H18 O2 |
| SMILES | O1CC2(O)c3c(ccc(c3CC=C2c2ccccc12)C)C |
| Title of publication | 12,15-Dimethyl-8-oxatetracyclo[8.8.0.0^2,7^.0^11,16^]octadeca-1(18),2,4,6,11(16),12,14-heptaen-10-ol |
| Authors of publication | Lough, Alan J.; Koh, Samuel; Tam, William |
| Journal of publication | IUCrData |
| Year of publication | 2020 |
| Journal volume | 5 |
| Journal issue | 3 |
| Pages of publication | x200315 |
| a | 12.2712 ± 0.0007 Å |
| b | 11.2934 ± 0.0006 Å |
| c | 10.8984 ± 0.0007 Å |
| α | 90° |
| β | 112.565 ± 0.002° |
| γ | 90° |
| Cell volume | 1394.71 ± 0.14 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.0643 |
| Residual factor for significantly intense reflections | 0.0396 |
| Weighted residual factors for significantly intense reflections | 0.0944 |
| Weighted residual factors for all reflections included in the refinement | 0.1099 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 249276 (current) | 2020-03-11 | cif/ hkl/ Adding structures of 1557573 via cif-deposit CGI script. |
1557573.cif 1557573.hkl |
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Users of the data should acknowledge the original authors of the
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