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Information card for entry 1547911
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Coordinates | 1547911.cif |
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Original paper (by DOI) | HTML |
Common name | 68869-124-27 |
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Chemical name | gene685 |
Formula | C22 H19 I |
Calculated formula | C22 H19 I |
SMILES | C(=C(CC)\c1ccccc1)(c1ccccc1)\c1ccc(cc1)I |
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 | 5.7244 ± 0.0003 Å |
b | 14.8287 ± 0.0007 Å |
c | 21.3598 ± 0.0011 Å |
α | 90° |
β | 97.293 ± 0.002° |
γ | 90° |
Cell volume | 1798.47 ± 0.16 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 3 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0448 |
Residual factor for significantly intense reflections | 0.0439 |
Weighted residual factors for significantly intense reflections | 0.1438 |
Weighted residual factors for all reflections included in the refinement | 0.1464 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.116 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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