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Information card for entry 2239533
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| Coordinates | 2239533.cif |
|---|---|
| Structure factors | 2239533.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | Octyl (2<i>E</i>)-2-[2-(diphenylphosphanyl)benzylidene] hydrazinecarbodithioate |
|---|---|
| Formula | C28 H33 N2 P S2 |
| Calculated formula | C28 H33 N2 P S2 |
| SMILES | CCCCCCCCSC(=S)N/N=C/c1ccccc1P(c1ccccc1)c1ccccc1 |
| Title of publication | Octyl (2<i>E</i>)-2-[2-(diphenylphosphanyl)benzylidene]hydrazinecarbodithioate |
| Authors of publication | Asri, Izuddin; Hamid, Malai Haniti S. A.; Mirza, Aminul Huq; Ali, Mohammad Akbar; Karim, Mohammad Rezaul |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 6 |
| Pages of publication | o633 - o634 |
| a | 11.2068 ± 0.0012 Å |
| b | 11.4956 ± 0.0012 Å |
| c | 11.7728 ± 0.0013 Å |
| α | 86.623 ± 0.001° |
| β | 70.538 ± 0.001° |
| γ | 65.013 ± 0.001° |
| Cell volume | 1290.2 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0458 |
| Residual factor for significantly intense reflections | 0.0429 |
| Weighted residual factors for significantly intense reflections | 0.1084 |
| Weighted residual factors for all reflections included in the refinement | 0.1107 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181895 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/95. |
2239533.cif 2239533.hkl |
| 181314 | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/95. |
2239533.cif 2239533.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2239533.cif 2239533.hkl |
| 113301 | 2014-05-10 | cif/ hkl/ Adding structures of 2239533 via cif-deposit CGI script. |
2239533.cif 2239533.hkl |
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