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Information card for entry 4131387
Preview
Coordinates | 4131387.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | 71452-146 |
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Chemical name | gene958 |
Formula | C23 H22 O |
Calculated formula | C23 H22 O |
SMILES | C(=C(CC)\c1ccccc1)(\c1ccccc1)c1ccc(cc1)OC |
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 | 12.8187 ± 0.0005 Å |
b | 8.7228 ± 0.0004 Å |
c | 15.7048 ± 0.0006 Å |
α | 90° |
β | 93.929 ± 0.001° |
γ | 90° |
Cell volume | 1751.9 ± 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 | 0.0357 |
Residual factor for significantly intense reflections | 0.0343 |
Weighted residual factors for significantly intense reflections | 0.0886 |
Weighted residual factors for all reflections included in the refinement | 0.0901 |
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/4131387.html
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