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Information card for entry 1508509
Preview
| Coordinates | 1508509.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Common name | Cyanex-301 |
|---|---|
| Formula | C16 H35 P S2 |
| Calculated formula | C16 H35 P S2 |
| SMILES | P(=S)(S)(C[C@@H](CC(C)(C)C)C)C[C@@H](CC(C)(C)C)C.P(=S)(S)(C[C@H](CC(C)(C)C)C)C[C@H](CC(C)(C)C)C |
| Title of publication | Degradation of CYANEX 301 in Contact with Nitric Acid Media |
| Authors of publication | Marc, Philippe; Custelcean, Radu; Groenewold, Gary S.; Klaehn, John R.; Peterman, Dean R.; Delmau, Lætitia H. |
| Journal of publication | Industrial & Engineering Chemistry Research |
| Year of publication | 2012 |
| Journal volume | 51 |
| Journal issue | 40 |
| Pages of publication | 13238 |
| a | 11.8398 ± 0.0012 Å |
| b | 12.029 ± 0.0012 Å |
| c | 14.8387 ± 0.0015 Å |
| α | 75.089 ± 0.002° |
| β | 82.148 ± 0.002° |
| γ | 89.399 ± 0.002° |
| Cell volume | 2022.4 ± 0.4 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0799 |
| Residual factor for significantly intense reflections | 0.0552 |
| Weighted residual factors for significantly intense reflections | 0.1364 |
| Weighted residual factors for all reflections included in the refinement | 0.1536 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.995 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201954 (current) | 2017-10-13 | cif/ Marking COD entries in range 1 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
1508509.cif |
| 176729 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1508509.cif |
| 132083 | 2015-02-19 | cif/1/50/85/ (antanas@koala.ibt.lt) Fixinf author name for CIFs 1508509, 1508510. |
1508509.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1508509.cif |
| 72019 | 2013-01-21 | cif/ Adding structures of 1508509 via cif-deposit CGI script. |
1508509.cif |
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Users of the data should acknowledge the original authors of the
structural data.