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Information card for entry 1100235
Preview
Coordinates | 1100235.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | meso-2,2'-dimethylbicyclohexyl-4,4'-dione |
---|---|
Formula | C14 H22 O2 |
Calculated formula | C14 H22 O2 |
SMILES | C1(=O)CC[C@@H]([C@H](C1)C)[C@H]1CCC(=O)C[C@@H]1C.C1(=O)CC[C@H]([C@@H](C1)C)[C@@H]1CCC(=O)C[C@H]1C |
Title of publication | Synthesis of a Mesogenic Compound with a Defined Conformation |
Authors of publication | Hoffmann, Reinhard W.; Brandl, Trixi; Kirsch, Peer; Harms, Klaus |
Journal of publication | Synlett |
Year of publication | 2001 |
Journal volume | 2001 |
Journal issue | SI |
Pages of publication | 960 - 963 |
a | 10.608 ± 0.0005 Å |
b | 18.5975 ± 0.0008 Å |
c | 6.4587 ± 0.0008 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1274.19 Å3 |
Ambient diffraction temperature | 213 K |
Number of distinct elements | 3 |
Space group number | 33 |
Hermann-Mauguin space group symbol | P n a 21 |
Hall space group symbol | P 2c -2n |
Residual factor for significantly intense reflections | 6.03 |
Weighted residual factors for significantly intense reflections | 6.03 |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
176883 (current) | 2016-02-25 | cif/1/10/02/ (antanas@kurmis) Adding full bibliography for entry 1100235. |
1100235.cif |
130149 | 2015-01-27 | cod/ (saulius@kolibris) Deriving Hall space group symbols for 12003 CIFs using the 'cif_filter --estimate-spacegroup' command. |
1100235.cif |
35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
1100235.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. |
1100235.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/' |
1100235.cif |
14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
1100235.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. |
1100235.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) |
1100235.cif |
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Users of the data should acknowledge the original authors of the
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