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Information card for entry 1547910
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Coordinates | 1547910.cif |
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Original paper (by DOI) | HTML |
Common name | 68866-152-6 |
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Chemical name | gene823 |
Formula | C23 H21 Cl |
Calculated formula | C23 H21 Cl |
SMILES | C(=C(\CC)c1ccccc1C)(\c1ccccc1)c1ccc(cc1)Cl |
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 | 9.7435 ± 0.0006 Å |
b | 20.96 ± 0.0013 Å |
c | 9.8864 ± 0.0006 Å |
α | 90° |
β | 113.368 ± 0.001° |
γ | 90° |
Cell volume | 1853.4 ± 0.2 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/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.079 |
Residual factor for significantly intense reflections | 0.0597 |
Weighted residual factors for significantly intense reflections | 0.1489 |
Weighted residual factors for all reflections included in the refinement | 0.1654 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/1547910.html
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