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Information card for entry 2018447
Preview
| Coordinates | 2018447.cif |
|---|---|
| Structure factors | 2018447.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Common name | tetraisohexylammonium bromide |
|---|---|
| Chemical name | tetrakis(4-methylpentyl)azanium bromide |
| Formula | C24 H52 Br N |
| Calculated formula | C24 H52 Br N |
| Title of publication | Alkyl-chain disorder in tetraisohexylammonium bromide |
| Authors of publication | Kelland, Malcolm A.; Thompson, Amber L. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 4 |
| Pages of publication | o152 - o155 |
| a | 15.4995 ± 0.0002 Å |
| b | 15.4995 ± 0.0002 Å |
| c | 21.1346 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 4397.04 ± 0.1 Å3 |
| Cell temperature | 250 K |
| Ambient diffraction temperature | 250 K |
| Number of distinct elements | 4 |
| Space group number | 154 |
| Hermann-Mauguin space group symbol | P 32 2 1 |
| Hall space group symbol | P 32 2" |
| Residual factor for all reflections | 0.0611 |
| Residual factor for significantly intense reflections | 0.0493 |
| Weighted residual factors for all reflections | 0.1782 |
| Weighted residual factors for significantly intense reflections | 0.1542 |
| Weighted residual factors for all reflections included in the refinement | 0.1782 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.9568 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301798 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/01 Each referenced PubChem compound corresponds to the full crystal structure. |
2018447.cif 2018447.hkl |
| 180853 | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/84. |
2018447.cif 2018447.hkl |
| 176435 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
2018447.cif 2018447.hkl |
| 125873 | 2014-10-25 | cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes. |
2018447.cif 2018447.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2018447.cif 2018447.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2018447.cif 2018447.hkl |
| 55353 | 2012-05-05 | cif/ Adding structures of 2018446, 2018447, 2018448 via cif-deposit CGI script. |
2018447.cif |
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Users of the data should acknowledge the original authors of the
structural data.