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Information card for entry 1547941
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Coordinates | 1547941.cif |
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Original paper (by DOI) | HTML |
Common name | 68869-156-5 |
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Chemical name | gene840 |
Formula | C22 H18 Cl F |
Calculated formula | C22 H18 Cl F |
SMILES | C(=C(\CC)c1ccc(cc1)F)(\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 | 20.898 ± 0.0005 Å |
b | 10.2307 ± 0.0002 Å |
c | 17.2114 ± 0.0004 Å |
α | 90° |
β | 109.785 ± 0.001° |
γ | 90° |
Cell volume | 3462.6 ± 0.14 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0328 |
Residual factor for significantly intense reflections | 0.0304 |
Weighted residual factors for significantly intense reflections | 0.0792 |
Weighted residual factors for all reflections included in the refinement | 0.0813 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/1547941.html
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