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Information card for entry 1547936
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Coordinates | 1547936.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | 71452-5 |
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Chemical name | gene787 |
Formula | C23 H24 O2 |
Calculated formula | C23 H24 O2 |
SMILES | [C@]([C@@H](CC)c1ccccc1)(c1ccccc1)(c1cccc(c1)OC)O.[C@@]([C@H](CC)c1ccccc1)(c1ccccc1)(c1cccc(c1)OC)O |
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 | 6.5207 ± 0.0005 Å |
b | 16.0428 ± 0.0011 Å |
c | 17.9567 ± 0.0008 Å |
α | 83.358 ± 0.005° |
β | 86.821 ± 0.005° |
γ | 80.353 ± 0.006° |
Cell volume | 1838.2 ± 0.2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 3 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0838 |
Residual factor for significantly intense reflections | 0.0678 |
Weighted residual factors for significantly intense reflections | 0.2073 |
Weighted residual factors for all reflections included in the refinement | 0.2201 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
Diffraction radiation wavelength | 1.54184 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/1547936.html
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Users of the data should acknowledge the original authors of the
structural data.