Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7100433
Preview
| Coordinates | 7100433.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | trans-2,8-dimethoxypterocarpan |
|---|---|
| Chemical name | (6aR*,11aS*)-6a,11a-dihydro-2,8-dimethoxy-6H-benzofuro[3,2-c]chromene |
| Formula | C17 H16 O4 |
| Calculated formula | C17 H16 O4 |
| SMILES | O(c1cc2c(OC[C@H]3c4c(O[C@H]23)ccc(OC)c4)cc1)C.O(c1cc2c(OC[C@@H]3c4c(O[C@@H]23)ccc(OC)c4)cc1)C |
| Title of publication | Straightforward synthesis of sulfur bridged oligopyrrolic macrocycles |
| Authors of publication | Jonathan L. Sessler; Thomas Kohler; Vincent Lynch; David Sanchez-Garcia; Daniel Seidel |
| Journal of publication | Chemical Communications |
| Year of publication | 2005 |
| a | 8.0941 ± 0.0008 Å |
| b | 8.7487 ± 0.0008 Å |
| c | 10.2094 ± 0.001 Å |
| α | 78.617 ± 0.002° |
| β | 82.94 ± 0.002° |
| γ | 77.161 ± 0.002° |
| Cell volume | 688.65 ± 0.11 Å3 |
| Cell temperature | 273 ± 2 K |
| Ambient diffraction temperature | 273 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 130149 (current) | 2015-01-27 | cod/ (saulius@kolibris) Deriving Hall space group symbols for 12003 CIFs using the 'cif_filter --estimate-spacegroup' command. |
7100433.cif |
| 120677 | 2014-07-23 | cod/ (saulius@koala.ibt.lt) Adding 4906 DOIs identified by CodBot. |
7100433.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7100433.cif |
| 31982 | 2012-01-03 | cif/ Removing the last asteriscs from author names, and adding _chemical_name_systematic tags to two entries where the substance name was attached to the author name loop, yielding a very strange co-author name :). |
7100433.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. |
7100433.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/' |
7100433.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
7100433.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. |
7100433.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) |
7100433.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.