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Information card for entry 4131380
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Coordinates | 4131380.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | 71452-122A |
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Chemical name | gene891 |
Formula | C22 H19 F |
Calculated formula | C22 H19 F |
SMILES | C(=C(\CC)c1ccccc1)(c1ccccc1)\c1ccc(cc1)F |
Title of publication | Highly Stereoselective Synthesis of Tetrasubstituted Acyclic All-Carbon Olefins via Enol Tosylation and Suzuki-Miyaura Coupling. |
Authors of publication | Li, Beryl X.; Le, Diane N.; Mack, Kyle A.; McClory, Andrew; Lim, Ngiap-Kie; Cravillion, Theresa; Savage, Scott; Han, Chong; Collum, David B.; Zhang, Haiming; Gosselin, Francis |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2017 |
Journal volume | 139 |
Journal issue | 31 |
Pages of publication | 10777 - 10783 |
a | 12.2957 ± 0.0005 Å |
b | 8.703 ± 0.0004 Å |
c | 15.5509 ± 0.0006 Å |
α | 90° |
β | 92.233 ± 0.002° |
γ | 90° |
Cell volume | 1662.83 ± 0.12 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 3 |
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 | 0.0363 |
Residual factor for significantly intense reflections | 0.0337 |
Weighted residual factors for significantly intense reflections | 0.0861 |
Weighted residual factors for all reflections included in the refinement | 0.0888 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
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/4131380.html
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