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Information card for entry 1100439
Preview
| Coordinates | 1100439.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C40 H42 O7 |
|---|---|
| Calculated formula | C40 H42 O7 |
| SMILES | O1CCOCCO[C@@H]([C@H](OCc2cccc(CO[C@@H]([C@H]1c1ccccc1)c1ccccc1)c2O)c1ccccc1)c1ccccc1.O |
| Title of publication | Pyridinium N-Phenolate Betaine Dyes and Their Application to the Characterization of the Polarity of Solvents, XXII. Syntheses and UV/Vis Spectroscopic Properties of Solvatochromic, Halochromic, and Chiro-Solvatochromic Pyridinium N-Phenolate Betaine Dyes with Four Stereogenic Centers |
| Authors of publication | Reichardt, Christian; Blum, Andreas; Harms, Klaus; Schäfer, Gerhard |
| Journal of publication | Liebigs Annalen/Recueil |
| Year of publication | 1997 |
| Journal volume | 1997 |
| Journal issue | 4 |
| Pages of publication | 707 - 720 |
| a | 8.967 ± 0.002 Å |
| b | 12.842 ± 0.001 Å |
| c | 15.1 ± 0.003 Å |
| α | 90° |
| β | 94.14 ± 0.01° |
| γ | 90° |
| Cell volume | 1734.29 Å3 |
| Number of distinct elements | 3 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 177969 (current) | 2016-03-07 | cif/1/10/ (antanas@kurmis) Adding full bibliography for entry 1100439. |
1100439.cif |
| 176729 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1100439.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
1100439.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. |
1100439.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. |
1100439.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/' |
1100439.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
1100439.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. |
1100439.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) |
1100439.cif |
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Users of the data should acknowledge the original authors of the
structural data.