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Information card for entry 4105224
Preview
| Coordinates | 4105224.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H18 O4 S |
|---|---|
| Calculated formula | C24 H16 O4 S |
| Title of publication | Which One Is Preferred: Myers-Saito Cyclization of Ene-Yne-Allene or Garratt-Braverman Cyclization of Conjugated Bisallenic Sulfone? A Theoretical and Experimental Study |
| Authors of publication | Amit Basak; Sanket Das; Dibyendu Mallick; Eluvathingal D. Jemmis |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2009 |
| Journal volume | 131 |
| Pages of publication | 15695 - 15704 |
| a | 9.115 ± 0.003 Å |
| b | 9.932 ± 0.003 Å |
| c | 12.311 ± 0.004 Å |
| α | 79.456 ± 0.009° |
| β | 89.201 ± 0.01° |
| γ | 63.883 ± 0.009° |
| Cell volume | 981 ± 0.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1465 |
| Residual factor for significantly intense reflections | 0.0764 |
| Weighted residual factors for significantly intense reflections | 0.1859 |
| Weighted residual factors for all reflections included in the refinement | 0.2094 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.985 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178798 (current) | 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. |
4105224.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4105224.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4105224.cif |
| 30418 | 2011-11-12 | ../uploads/cif-deposit/cod/cif Adding structures of 4105224 via cif-deposit CGI script. |
4105224.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
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License
.
Users of the data should acknowledge the original authors of the
structural data.