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Information card for entry 1100282
Preview
| Coordinates | 1100282.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C31 H32 O7 |
|---|---|
| Calculated formula | C31 H32 O7 |
| SMILES | [C@@H]1(OC=C([C@@H]2[C@H](O[C@@H](C[C@H]12)OC)COC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)OC)O |
| Title of publication | Structure of a photolysis product |
| Authors of publication | Harms, K.; Sheldrick, G. M.; Glüsenkamp, K. H.; Tietze, L. F. |
| Journal of publication | Acta Crystallographica, Section C: Crystal Structure Communications |
| Year of publication | 1986 |
| Journal volume | 42 |
| Journal issue | 9 |
| Pages of publication | 1269 - 1271 |
| a | 8.424 ± 0.001 Å |
| b | 14.773 ± 0.002 Å |
| c | 22.165 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2758.38 Å3 |
| Number of distinct elements | 3 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301773 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/10 Each referenced PubChem compound corresponds to the full crystal structure. |
1100282.cif |
| 176916 | 2016-02-25 | cif/1/10/02/ (antanas@echidna.ibt.lt) Adding full bibliography for entry 1100282. |
1100282.cif |
| 130149 | 2015-01-27 | cod/ (saulius@kolibris) Deriving Hall space group symbols for 12003 CIFs using the 'cif_filter --estimate-spacegroup' command. |
1100282.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
1100282.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. |
1100282.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/' |
1100282.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
1100282.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. |
1100282.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) |
1100282.cif |
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Users of the data should acknowledge the original authors of the
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