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Information card for entry 1557306
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| Coordinates | 1557306.cif |
|---|---|
| Structure factors | 1557306.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2-(Octadecylsulfanyl)-1,3-thiazole |
|---|---|
| Formula | C21 H39 N S2 |
| Calculated formula | C21 H39 N S2 |
| Title of publication | 2-(Octadecylsulfanyl)-1,3-thiazole |
| Authors of publication | Muller II, Joseph E.; Osborn, Laura R.; Traver, Joseph R.; Hillesheim, Patrick C.; Zeller, Matthias; Mirjafari, Arsalan |
| Journal of publication | IUCrData |
| Year of publication | 2020 |
| Journal volume | 5 |
| Journal issue | 2 |
| Pages of publication | x200170 |
| a | 5.5457 ± 0.0006 Å |
| b | 9.1108 ± 0.001 Å |
| c | 43.511 ± 0.006 Å |
| α | 90° |
| β | 90.376 ± 0.005° |
| γ | 90° |
| Cell volume | 2198.4 ± 0.5 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.1015 |
| Residual factor for significantly intense reflections | 0.0967 |
| Weighted residual factors for significantly intense reflections | 0.2546 |
| Weighted residual factors for all reflections included in the refinement | 0.263 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 248074 (current) | 2020-02-12 | cif/ hkl/ Adding structures of 1557306 via cif-deposit CGI script. |
1557306.cif 1557306.hkl |
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Users of the data should acknowledge the original authors of the
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