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Information card for entry 4504832
Preview
| Coordinates | 4504832.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Common name | phosphoric acid dihexadecyl ester |
|---|---|
| Formula | C32 H67 O4 P |
| Calculated formula | C32 H67 O4 P |
| SMILES | P(=O)(OCCCCCCCCCCCCCCCC)(OCCCCCCCCCCCCCCCC)O |
| Title of publication | V-shaped crystalline structures of di-n-alkyl esters of phosphoric acid. |
| Authors of publication | Thünemann, Andreas F; Kurth, Dirk G.; Beinhoff, Matthias; Bienert, Ralf; Schulz, Burkhard |
| Journal of publication | Langmuir : the ACS journal of surfaces and colloids |
| Year of publication | 2006 |
| Journal volume | 22 |
| Journal issue | 13 |
| Pages of publication | 5856 - 5861 |
| a | 4.717 ± 0.003 Å |
| b | 5.602 ± 0.003 Å |
| c | 33.609 ± 0.019 Å |
| α | 85.242 ± 0.012° |
| β | 86.283 ± 0.011° |
| γ | 77.441 ± 0.01° |
| Cell volume | 862.9 ± 0.9 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.0784 |
| Residual factor for significantly intense reflections | 0.0693 |
| Weighted residual factors for significantly intense reflections | 0.1984 |
| Weighted residual factors for all reflections included in the refinement | 0.2029 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.072 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201982 (current) | 2017-10-13 | cif/ Marking COD entries in range 4 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
4504832.cif |
| 179583 | 2016-03-24 | cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/48. |
4504832.cif |
| 120110 | 2014-07-12 | Adding DOIs to range 4/50 structures. | 4504832.cif |
| 47721 | 2012-03-26 | ../uploads/cif-deposit/cod/cif Adding structures of 4504832 via cif-deposit CGI script. |
4504832.cif |
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Users of the data should acknowledge the original authors of the
structural data.