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Information card for entry 4105274
Preview
| Coordinates | 4105274.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C18 H20 O |
|---|---|
| Calculated formula | C18 H20 O |
| SMILES | [C@H]1([C@H]([C@H]1c1ccccc1)c1c(cccc1C)C)CO |
| Title of publication | In Situ Generation of Zinc Carbenoids from Diazo Compounds and Zinc Salts: Asymmetric Synthesis of 1,2,3-Substituted Cyclopropanes |
| Authors of publication | Sébastien R. Goudreau; André B. Charette |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2009 |
| Journal volume | 131 |
| Pages of publication | 15633 - 15635 |
| a | 7.3186 ± 0.0007 Å |
| b | 22.46 ± 0.02 Å |
| c | 13.2979 ± 0.0013 Å |
| α | 90° |
| β | 93.896 ± 0.005° |
| γ | 90° |
| Cell volume | 2181 ± 2 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 3 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0467 |
| Residual factor for significantly intense reflections | 0.0406 |
| Weighted residual factors for significantly intense reflections | 0.1067 |
| Weighted residual factors for all reflections included in the refinement | 0.1118 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301832 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/10/ Each referenced PubChem compound corresponds to the full crystal structure. |
4105274.cif |
| 178798 | 2016-03-21 | cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/52. |
4105274.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4105274.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4105274.cif |
| 30468 | 2011-11-12 | ../uploads/cif-deposit/cod/cif Adding structures of 4105274 via cif-deposit CGI script. |
4105274.cif |
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Users of the data should acknowledge the original authors of the
structural data.