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Information card for entry 1550275
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| Coordinates | 1550275.cif |
|---|---|
| Structure factors | 1550275.hkl |
| Original IUCr paper | HTML |
| Chemical name | 1,1-Diphenyl-4-(thiophen-2-yl)but-3-yn-1-ol |
|---|---|
| Formula | C20 H16 O S |
| Calculated formula | C20 H16 O S |
| Title of publication | 1,1-Diphenyl-4-(thiophen-2-yl)but-3-yn-1-ol |
| Authors of publication | Umaña, Christian A.; Pineda, Leslie W.; Cabezas, Jorge A. |
| Journal of publication | IUCrData |
| Year of publication | 2018 |
| Journal volume | 3 |
| Journal issue | 11 |
| Pages of publication | x181616 |
| a | 9.424 ± 0.0004 Å |
| b | 16.0262 ± 0.0007 Å |
| c | 20.8913 ± 0.001 Å |
| α | 90° |
| β | 99.042 ± 0.001° |
| γ | 90° |
| Cell volume | 3116 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.1733 |
| Residual factor for significantly intense reflections | 0.0741 |
| Weighted residual factors for significantly intense reflections | 0.1056 |
| Weighted residual factors for all reflections included in the refinement | 0.1367 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 212148 (current) | 2018-11-23 | cif/ hkl/ Adding structures of 1550275 via cif-deposit CGI script. |
1550275.cif 1550275.hkl |
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Users of the data should acknowledge the original authors of the
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