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Information card for entry 4020619
Preview
| Coordinates | 4020619.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Paquette 1326a |
|---|---|
| Formula | C24 H34 O5 |
| Calculated formula | C24 H34 O5 |
| SMILES | O=C1[C@]23[C@](O)(C(=C1OC(C)C)OC(C)C)CC[C@H]2C[C@@]1([C@H](C(=O)C=C31)C(C)C)C.O=C1[C@@]23[C@@](O)(C(=C1OC(C)C)OC(C)C)CC[C@@H]2C[C@]1([C@@H](C(=O)C=C31)C(C)C)C |
| Title of publication | Competitive Stereochemical Control Operative during Conrotatory Electrocyclization of Helically Equilibrating Diquinanyl-Substituted 1,3,5,7-Octatetraenyl Bisenolates |
| Authors of publication | Leo A. Paquette; Zuosheng Liu; Charla Ramsey; Judith C. Gallucci |
| Journal of publication | Journal of Organic Chemistry |
| Year of publication | 2005 |
| Journal volume | 70 |
| Pages of publication | 8154 - 8161 |
| a | 12.379 ± 0.001 Å |
| b | 12.63 ± 0.001 Å |
| c | 29.244 ± 0.004 Å |
| α | 88.09 ± 0.003° |
| β | 86.149 ± 0.004° |
| γ | 89.771 ± 0.005° |
| Cell volume | 4559.6 ± 0.8 Å3 |
| Cell temperature | 250 ± 2 K |
| Ambient diffraction temperature | 250 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 277842 (current) | 2022-09-14 | cif/4/ Added space group information derived from the space group operation list using the 'cif_filter' program. |
4020619.cif |
| 277841 | 2022-09-14 | cif/4/ Reordered data items using the 'cif_filter' program to ensure that future changes to the file result in a minimal number of modified lines. |
4020619.cif |
| 120074 | 2014-07-11 | Adding DOIs to range 4/02 structures. | 4020619.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4020619.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. |
4020619.cif |
| 19 | 2008-01-26 | Changing all end-of-line codes from DOS style to UNIX style in all COD CIF files, for more convenient processing: In the cod/cif/ directory: ff \*.cif | xargs perl -i -pe 's/\r\n/\n/' |
4020619.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
4020619.cif |
| 13 | 2008-01-13 | Setting the svn:keywords property to "Author Date Revision URL Id" for all CIF files in the cod/cif directory. |
4020619.cif |
| 1 | 2007-11-30 | Adding all .cif files from the COD, downloaded in a Cod.zip file on 2007.02.07 (and the same Cod.zip is downloadable today, on 2007.11.29) |
4020619.cif |
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.
Users of the data should acknowledge the original authors of the
structural data.