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Information card for entry 6000198
Preview
| Coordinates | 6000198.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | 2,4,6-Tri-isopropylbenzenesulfonamide |
|---|---|
| Formula | C15 H25 N O2 S |
| Calculated formula | C15 H25 N O2 S |
| Title of publication | 2,4,6-Triisopropylbenzenesulfonamide: Monte Carlo structure solution from X-ray powder diffraction data for a molecular system containing four independent asymmetric rotors |
| Authors of publication | Tremayne, Maryjane; MacLean, Elizabeth J.; Tang, Chiu C.; Glidewell, Christopher |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 1999 |
| Journal volume | 55 |
| Journal issue | 6 |
| Pages of publication | 1068 - 1074 |
| a | 16.96 ± 0.0006 Å |
| b | 8.1382 ± 0.0002 Å |
| c | 11.781 ± 0.0002 Å |
| α | 90° |
| β | 104.777 ± 0.002° |
| γ | 90° |
| Cell volume | 1572.28 ± 0.07 Å3 |
| Cell temperature | 120 ± 1 K |
| Ambient diffraction temperature | 120 ± 1 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Goodness-of-fit parameter for all reflections | 2.97 |
| Diffraction radiation wavelength | 1.3 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 188515 (current) | 2016-11-16 | cif/6/00 Marking attached hydrogen atoms in range 6/00. |
6000198.cif |
| 176428 | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
6000198.cif |
| 176292 | 2016-02-09 | cif/6/ (antanas@kurmis) Removing the _[local]_cod_text data item from multiple entries in range 6, since it held the same information as other data items in the entries (bibliography data items, for example). Also, bibliography was updated in several entries. |
6000198.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
6000198.cif |
| 37597 | 2012-03-03 | cif/6/ Inserting coordinates and updating bibliography from the Acta Cryst. supplementary data. |
6000198.cif |
| 37546 | 2012-03-02 | cod/cif/6/00/01/ Restoring the rest of the truncated files: for i in 4 5 6 7 8; do \ svn cat -r32111 600019$i.cif@35911 > 600019$i.cif; \ done |
6000198.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
6000198.cif |
| 32112 | 2012-02-03 | cif/: committing an update of 45+ thous files, with information appended from the originals. | 6000198.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. |
6000198.cif |
| 878 | 2009-11-19 | cif/6/ Splitting the corrected 6.cif file, adding the splitted range 6 files: cif_split_primitive -o 6/ < 6.cif |
6000198.cif |
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Users of the data should acknowledge the original authors of the
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