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Information card for entry 1547920
Preview
Coordinates | 1547920.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | 68869-182 |
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Chemical name | gene945 |
Formula | C20 H17 Cl S |
Calculated formula | C20 H17 Cl S |
SMILES | C(=C(CC)\c1ccsc1)(c1ccccc1)\c1ccc(cc1)Cl |
Title of publication | Synthesis of Highly Stereodefined Tetrasubstituted Acyclic All-Carbon Olefins via a Syn-Elimination Approach. |
Authors of publication | Lim, Ngiap-Kie; Weiss, Patrick; Li, Beryl X.; McCulley, Christina H.; Hare, Stephanie R.; Bensema, Bronwyn L.; Palazzo, Teresa A.; Tantillo, Dean J.; Zhang, Haiming; Gosselin, Francis |
Journal of publication | Organic letters |
Year of publication | 2017 |
Journal volume | 19 |
Journal issue | 22 |
Pages of publication | 6212 - 6215 |
a | 8.5228 ± 0.0003 Å |
b | 12.1509 ± 0.0004 Å |
c | 17.005 ± 0.0006 Å |
α | 72.107 ± 0.001° |
β | 89.784 ± 0.001° |
γ | 82.281 ± 0.001° |
Cell volume | 1659.36 ± 0.1 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.0422 |
Residual factor for significantly intense reflections | 0.0404 |
Weighted residual factors for significantly intense reflections | 0.1099 |
Weighted residual factors for all reflections included in the refinement | 0.1117 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1547920.html
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