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Information card for entry 1505871
Preview
| Coordinates | 1505871.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | (7a-Hydroxymethyl-1,2,3,7a-tetrahydro-inden-3a-yl)-methanol |
|---|---|
| Formula | C11 H16 O2 |
| Calculated formula | C11 H16 O2 |
| SMILES | [C@]12(CCC[C@@]1(C=CC=C2)CO)CO |
| Title of publication | Dearomatization-bis-alkylation of aromatic and heteroaromatic diesters promoted by Me3SnLi via a stanna-Brook rearrangement. |
| Authors of publication | Monje, Pablo; Graña, Paula; Paleo, M. Rita; Sardina, F. Javier |
| Journal of publication | Organic letters |
| Year of publication | 2006 |
| Journal volume | 8 |
| Journal issue | 5 |
| Pages of publication | 951 - 954 |
| a | 7.8294 ± 0.0013 Å |
| b | 11.3508 ± 0.0015 Å |
| c | 11.6799 ± 0.0005 Å |
| α | 104.494 ± 0.005° |
| β | 91.16 ± 0.008° |
| γ | 101.957 ± 0.012° |
| Cell volume | 980.3 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1575 |
| Residual factor for significantly intense reflections | 0.0977 |
| Weighted residual factors for significantly intense reflections | 0.2413 |
| Weighted residual factors for all reflections included in the refinement | 0.2667 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.963 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| 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. |
1505871.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1505871.cif |
| 47809 | 2012-03-26 | ../uploads/cif-deposit/cod/cif Adding structures of 1505871, 1505872 via cif-deposit CGI script. |
1505871.cif |
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Users of the data should acknowledge the original authors of the
structural data.