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Information card for entry 1100345
Preview
| Coordinates | 1100345.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H31 F Li N3 O2 S |
|---|---|
| Title of publication | [3-Bromo-2-lithio-1-phenylsulfonylbenzofuran Diisopropyl Ether]~2~ and 3-Fluoro-2-lithio-1-phenyl-sulfonylbenzene · Pentamethyldiethylenetriamine: Crystal Structures of Compounds with Lithium and Halogen on Neighboring Carbon Atoms |
| Authors of publication | Bosold, Ferdinand; Zulauf, Peter; Marsch, Michael; Harms, Klaus; Lohrenz, John; Boche, Gernot |
| Journal of publication | Angewandte Chemie, International Edition in English |
| Year of publication | 1991 |
| Journal volume | 30 |
| Journal issue | 11 |
| Pages of publication | 1455 - 1457 |
| a | 8.894 ± 0.003 Å |
| b | 19.972 ± 0.002 Å |
| c | 13.046 ± 0.004 Å |
| α | 90° |
| β | 101.34 ± 0.01° |
| γ | 90° |
| Cell volume | 2272.13 Å3 |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 21/n |
| Has coordinates | No |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 278158 (current) | 2022-09-25 | cod/ Reformatted the summary chemical formuale using the 'cif_filter' program. |
1100345.cif |
| 177306 | 2016-03-04 | cif/1/10/ (antanas@echidna.ibt.lt) Adding full bibliography for entries 1100344, 1100345. |
1100345.cif |
| 130149 | 2015-01-27 | cod/ (saulius@kolibris) Deriving Hall space group symbols for 12003 CIFs using the 'cif_filter --estimate-spacegroup' command. |
1100345.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
1100345.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. |
1100345.cif |
| 904 | 2009-11-23 | cif/ Adding a loop with _atom_site_label and _atom_site_fract_{x,y,z} tags, adn with "?" as their values, to all COD CIFs that lacked atomic coodrinates: find ? -name \*.cif \ | xargs -n1 -iX \ bash -c 'if [ $(cif_filter X | wc -l) -eq 0 ]; \ then \ echo -e "loop_\n_atom_site_label\n_atom_site_fract_x\n_atom_site_fract_y\n_atom_site_fract_z\n? \ ? ? ?" >> X; \ ( set -x; vcif -l 2048 X ); \ fi' This "cosmetic" change makes it easier to process COD CIFs with scripts that pick only datablocks with atomic coordinates for processing (such as cif_fitler). |
1100345.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/' |
1100345.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
1100345.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. |
1100345.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) |
1100345.cif |
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Users of the data should acknowledge the original authors of the
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