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Information card for entry 1547913
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Coordinates | 1547913.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | 68869-141 |
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Chemical name | gene837 |
Formula | C22 H25 N O2 |
Calculated formula | C22 H25 N O2 |
SMILES | [C@@]([C@H](CC)c1ccccc1)(c1ccccc1)(c1ccncc1)O.CO.[C@]([C@@H](CC)c1ccccc1)(c1ccccc1)(c1ccncc1)O.CO |
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 | 6.1271 ± 0.0003 Å |
b | 16.148 ± 0.0008 Å |
c | 18.8563 ± 0.0009 Å |
α | 90.872 ± 0.002° |
β | 97.1 ± 0.002° |
γ | 98.775 ± 0.002° |
Cell volume | 1828.57 ± 0.15 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0347 |
Residual factor for significantly intense reflections | 0.0332 |
Weighted residual factors for significantly intense reflections | 0.0804 |
Weighted residual factors for all reflections included in the refinement | 0.0818 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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structural data.