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Information card for entry 1547915
Preview
Coordinates | 1547915.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | 60473-81 |
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Chemical name | gene578 |
Formula | C23 H24 O |
Calculated formula | C23 H24 O |
SMILES | [C@@]([C@H](CC)c1ccccc1)(c1ccccc1)(c1ccc(cc1)C)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 | 5.9827 ± 0.0002 Å |
b | 25.0699 ± 0.0007 Å |
c | 11.6168 ± 0.0003 Å |
α | 90° |
β | 90.887 ± 0.002° |
γ | 90° |
Cell volume | 1742.14 ± 0.09 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 | 0.0377 |
Residual factor for significantly intense reflections | 0.0337 |
Weighted residual factors for significantly intense reflections | 0.0772 |
Weighted residual factors for all reflections included in the refinement | 0.0794 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
Diffraction radiation wavelength | 1.54178 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/1547915.html
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