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Information card for entry 4022743
Preview
| Coordinates | 4022743.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C11 H20 O |
|---|---|
| Calculated formula | C11 H20 O |
| SMILES | O[C@@]12CCCCCC[C@@H]1CCC2.O[C@]12CCCCCC[C@H]1CCC2 |
| Title of publication | Construction of Bicyclic Ring Systems via a Transannular SmI~2~-Mediated Ketone-Olefin Cyclization Strategy |
| Authors of publication | Gary A. Molander; Barbara Czakó; Michael Rheam |
| Journal of publication | Journal of Organic Chemistry |
| Year of publication | 2007 |
| Journal volume | 72 |
| Pages of publication | 1755 - 1764 |
| a | 15.694 ± 0.002 Å |
| b | 15.694 ± 0.002 Å |
| c | 8.2592 ± 0.0012 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2034.2 ± 0.5 Å3 |
| Cell temperature | 143 ± 1 K |
| Ambient diffraction temperature | 143 ± 1 K |
| Number of distinct elements | 3 |
| Space group number | 82 |
| Hermann-Mauguin space group symbol | I -4 |
| Hall space group symbol | I -4 |
| Residual factor for all reflections | 0.1153 |
| Residual factor for significantly intense reflections | 0.106 |
| Weighted residual factors for significantly intense reflections | 0.3133 |
| Weighted residual factors for all reflections included in the refinement | 0.3359 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.401 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201982 (current) | 2017-10-13 | cif/ Marking COD entries in range 4 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
4022743.cif |
| 178406 | 2016-03-21 | cif/4/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/02/27. |
4022743.cif |
| 120074 | 2014-07-11 | Adding DOIs to range 4/02 structures. | 4022743.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4022743.cif |
| 966 | 2010-01-30 | cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated. |
4022743.cif |
| 430 | 2008-07-18 | Adding CIFs from the J-Org-Chem-2002-2003-2007/ deposition. |
4022743.cif |
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Users of the data should acknowledge the original authors of the
structural data.