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Information card for entry 8100971
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| Coordinates | 8100971.cif |
|---|
| Formula | C12 H16 O2 |
|---|---|
| Calculated formula | C12 H16 O2 |
| SMILES | O=C1[C@@H]2CC[C@@]3([C@@]1(O)CC=C[C@@H]3C2)C.O=C1[C@H]2CC[C@]3([C@]1(O)CC=C[C@H]3C2)C |
| Title of publication | Crystal structure of 3-hydroxy-8-methyltricyclo-[5.3.1.0^3,8^]undec- 5-en-2-one, C~12~H~16~O~2~ |
| Authors of publication | Oesterreich, Kai; Spitzner, Dietrich; Oeckler, Oliver; Simon, Arndt |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2001 |
| Journal volume | 216 |
| Journal issue | 2 |
| Pages of publication | 293 - 294 |
| a | 12.476 ± 0.003 Å |
| b | 11.134 ± 0.002 Å |
| c | 14.1 ± 0.003 Å |
| α | 90° |
| β | 149.49 ± 0.03° |
| γ | 90° |
| Cell volume | 994.4 ± 0.3 Å3 |
| Cell temperature | 93 ± 2 K |
| Ambient diffraction temperature | 93 ± 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 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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Users of the data should acknowledge the original authors of the
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