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Information card for entry 2000374
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| Coordinates | 2000374.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | C13 H24 O3 |
|---|---|
| Calculated formula | C13 H24 O3 |
| SMILES | C[C@H](/C=C/[C@H]1[C@H](C)[C@H](O)[C@H](CC1(C)C)O)O |
| Title of publication | Structure of a new C~13~-norisoprenoid |
| Authors of publication | Rodríguez, M. L.; Brito B, I.; González, A. G.; Almonacid, L. N.; Pérez, C.; Trujillo, J. M. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1992 |
| Journal volume | 48 |
| Journal issue | 12 |
| Pages of publication | 2192 - 2194 |
| a | 6.746 ± 0.001 Å |
| b | 7.712 ± 0.001 Å |
| c | 12.62 ± 0.01 Å |
| α | 90° |
| β | 102.86 ± 0.01° |
| γ | 90° |
| Cell volume | 640.1 ± 0.5 Å3 |
| Number of distinct elements | 3 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | Cu |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|
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Users of the data should acknowledge the original authors of the
structural data.