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Information card for entry 5900022
Preview
| Coordinates | 5900022.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | Pentaerythritol |
|---|---|
| Formula | C5 H12 O4 |
| Calculated formula | C5 H12 O4 |
| Title of publication | The crystalline structure of the sugars. Part IV. Pentaerythritol and the hydroxyl bond |
| Authors of publication | Llewellyn, F. J.; Cox, E. G.; Goodwin, T. H. |
| Journal of publication | Journal of the Chemical Society |
| Year of publication | 1937 |
| Pages of publication | 883 - 894 |
| a | 6.1 ± 0.02 Å |
| b | 6.1 ± 0.02 Å |
| c | 8.73 ± 0.02 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 324.84 Å3 |
| Number of distinct elements | 3 |
| Space group number | 82 |
| Hermann-Mauguin space group symbol | I -4 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301844 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 5/ Each referenced PubChem compound corresponds to the full crystal structure. |
5900022.cif |
| 296823 | 2024-12-10 | Updated the '_atom_site_type_symbol' data item values. |
5900022.cif |
| 264769 | 2021-05-03 | cif/5/90/00/ Added the _citation_author_ordinal data item to the CITATION_AUTHOR loop and updated the _citation_author_name data item value in entries 5900000-5900008, 5900010-5900030, 5900032-5900039. |
5900022.cif |
| 188973 | 2016-12-06 | cif/5/90/00/ (antanas@echidna.ibt.lt) Changing the chemical name from 'Tetramethoxymethane' to 'Pentaerythritol' and marking attached hydrogen atoms in entry 5900022. |
5900022.cif |
| 174865 | 2016-01-23 | cif/5/90/ (antanas@kurmis) Updating bibliography for entry 5900022. |
5900022.cif |
| 130149 | 2015-01-27 | cod/ (saulius@kolibris) Deriving Hall space group symbols for 12003 CIFs using the 'cif_filter --estimate-spacegroup' command. |
5900022.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
5900022.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. |
5900022.cif |
| 903 | 2009-11-23 | cif/ Setting svn:keywords property on those CIFs that did not have them. |
5900022.cif |
| 682 | 2009-04-25 | Depositing 40 historic structures from A. I. Kitajgorodskij's 'Organicheskaja Kristallokhimija', Izdatel'stvo Akademii Nauk SSSR, 1955. |
5900022.cif |
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