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Information card for entry 4021170
Preview
| Coordinates | 4021170.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H41 Br2 N4 O4 |
|---|---|
| Calculated formula | C28 H41 Br2 N4 O3.5 |
| Title of publication | Azolium-Linked Cyclophanes: A Comprehensive Examination of Conformations by ^1^H-NMR Spectroscopy and Structural Studies |
| Authors of publication | Murray V. Baker; Mark J. Bosnich; David H. Brown; Lindsay T. Byrne; Valerie J. Hesler; Brian W. Skelton; Allan H. White; Charlotte C. Williams |
| Journal of publication | Journal of Organic Chemistry |
| Year of publication | 2004 |
| Journal volume | 69 |
| Pages of publication | 7640 - 7652 |
| a | 13.625 ± 0.004 Å |
| b | 13.625 ± 0.004 Å |
| c | 17.1 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3174 ± 2 Å3 |
| Cell temperature | 300 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 136 |
| Hermann-Mauguin space group symbol | P 42/m n m |
| Hall space group symbol | -P 4n 2n |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 208203 (current) | 2018-06-08 | cif/4/ Updating space group information in entries 4021170, 4310396. |
4021170.cif |
| 192060 | 2017-02-14 | cif/ (antanas@echidna.ibt.lt) Marking attached hydrogen atoms in entry 4021170. |
4021170.cif |
| 192057 | 2017-02-14 | cif/4/ (antanas@echidna.ibt.lt) Changing the _atom_site_occupancy data item value from '?' to '1' for all fully occupied atoms in entries 4021170, 4062386, 4300099, 4300100, 4300101, 4323038. |
4021170.cif |
| 120074 | 2014-07-11 | Adding DOIs to range 4/02 structures. | 4021170.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4021170.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. |
4021170.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/' |
4021170.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
4021170.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. |
4021170.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) |
4021170.cif |
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Users of the data should acknowledge the original authors of the
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