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Information card for entry 7100075
Preview
| Coordinates | 7100075.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C36 H58 O4 Ti3 |
|---|---|
| Calculated formula | C36 H58 O4 Ti3 |
| SMILES | C1(C)[Ti]2345678([c]9([c]5([c]4([c]3([c]29C)C)C)C)C)O[Ti]2345917([c]1([c]2([c]3([c]4([c]51C)C)C)C)C)O[Ti]123489([c]5([c]1([c]2([c]3([c]45C)C)C)C)C)(OC(C)(C)C)O6 |
| Journal of publication | Chemical Communications |
| Year of publication | 2005 |
| a | 17.575 ± 0.003 Å |
| b | 22.434 ± 0.003 Å |
| c | 38.629 ± 0.008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 15231 ± 5 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 277873 (current) | 2022-09-15 | cif/ Added space group information derived from the space group operation list using the 'cif_filter' program. |
7100075.cif |
| 277872 | 2022-09-15 | cif/ Reordered data items using the 'cif_filter' program to ensure that future changes to the file result in a minimal number of modified lines. |
7100075.cif |
| 120677 | 2014-07-23 | cod/ (saulius@koala.ibt.lt) Adding 4906 DOIs identified by CodBot. |
7100075.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7100075.cif |
| 1114 | 2010-04-19 | Fixed tags from unrecognised-tag.lst |
7100075.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. |
7100075.cif |
| 153 | 2008-02-23 | 20 files corrected. |
7100075.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/' |
7100075.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
7100075.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. |
7100075.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) |
7100075.cif |
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.
Users of the data should acknowledge the original authors of the
structural data.