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Information card for entry 4021068
Preview
| Coordinates | 4021068.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C33 H38 O6 |
|---|---|
| Calculated formula | C33 H38 O6 |
| SMILES | C(C)(C)(C)OC(=O)Oc1c(cc2c(c1)O[C@H](C[C@H]2c1ccccc1)O[C@@H]1[C@H](CCCC1)c1ccccc1)OC.C(C)(C)(C)OC(=O)Oc1c(cc2c(c1)O[C@@H](C[C@@H]2c1ccccc1)O[C@H]1[C@@H](CCCC1)c1ccccc1)OC |
| Title of publication | Enantioselective [4 + 2] Cycloadditions of o-Quinone Methides: Total Synthesis of (+)-Mimosifoliol and Formal Synthesis of (+)-Tolterodine |
| Authors of publication | Carolyn Selenski; Thomas R. R. Pettus |
| Journal of publication | Journal of Organic Chemistry |
| Year of publication | 2004 |
| Journal volume | 69 |
| Pages of publication | 9196 - 9203 |
| a | 14.2366 ± 0.0008 Å |
| b | 14.2825 ± 0.0008 Å |
| c | 16.0574 ± 0.001 Å |
| α | 90° |
| β | 107.805 ± 0.001° |
| γ | 90° |
| Cell volume | 3108.6 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301812 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 4/02/ Each referenced PubChem compound corresponds to the full crystal structure. |
4021068.cif |
| 178388 | 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 4/02/10. |
4021068.cif |
| 120074 | 2014-07-11 | Adding DOIs to range 4/02 structures. | 4021068.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4021068.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. |
4021068.cif |
| 853 | 2009-11-16 | cif/ Reconstructing spacegroup designators from the symmetry operators were possible. The comands used can be found in the log file reformat-spacegroups-2009.11.14.log committed with the current revision. Only lines that contained spacegroup designators were changed, and all files pass vcif test after the conversion. |
4021068.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/' |
4021068.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
4021068.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. |
4021068.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) |
4021068.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.