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Information card for entry 2241536
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| Coordinates | 2241536.cif |
|---|---|
| Structure factors | 2241536.hkl |
| Original IUCr paper | HTML |
| Chemical name | Chlorido(2,3-diphenyl-3,4,5,6-tetrahydro-2<i>H</i>-1,3-thiazin-4-one-κ<i>O</i>)triphenyltin |
|---|---|
| Formula | C34 H30 Cl N O S Sn |
| Calculated formula | C34 H30 Cl N O S Sn |
| SMILES | C1(c2ccccc2)N(C(=[O][Sn](c2ccccc2)(c2ccccc2)(c2ccccc2)Cl)CCS1)c1ccccc1 |
| Title of publication | Crystal structure of the 1:1 adduct of 2,3-diphenyl-3,4,5,6-tetrahydro-2<i>H</i>-1,3-thiazin-4-one with triphenyltin chloride |
| Authors of publication | Yennawar, Hemant P.; Fox, Ryan; Silverberg, Lee J. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2016 |
| Journal volume | 72 |
| Journal issue | 3 |
| Pages of publication | 276 - 279 |
| a | 10.8454 ± 0.0019 Å |
| b | 9.5675 ± 0.0016 Å |
| c | 28.891 ± 0.005 Å |
| α | 90° |
| β | 92.886 ± 0.003° |
| γ | 90° |
| Cell volume | 2994 ± 0.9 Å3 |
| Cell temperature | 298 K |
| Ambient diffraction temperature | 298 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0557 |
| Residual factor for significantly intense reflections | 0.0479 |
| Weighted residual factors for significantly intense reflections | 0.1378 |
| Weighted residual factors for all reflections included in the refinement | 0.1435 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.076 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181916 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/15. |
2241536.cif 2241536.hkl |
| 175691 | 2016-02-04 | cif/ hkl/ Adding structures of 2241536 via cif-deposit CGI script. |
2241536.cif 2241536.hkl |
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Users of the data should acknowledge the original authors of the
structural data.