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Information card for entry 1513399
Preview
Coordinates | 1513399.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C16 H15 Br O2 |
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Calculated formula | C16 H15 Br O2 |
SMILES | Brc1ccc([C@@H](C2(C(=O)CCCC2=O)C)C#C)cc1 |
Title of publication | Highly enantioselective copper-catalyzed propargylic substitution of propargylic acetates with 1,3-dicarbonyl compounds. |
Authors of publication | Han, Fu-Zhong; Zhu, Fu-Lin; Wang, Ya-Hui; Zou, Yuan; Hu, Xin-Hu; Chen, Song; Hu, Xiang-Ping |
Journal of publication | Organic letters |
Year of publication | 2014 |
Journal volume | 16 |
Journal issue | 2 |
Pages of publication | 588 - 591 |
a | 7.3072 ± 0.001 Å |
b | 7.3072 ± 0.001 Å |
c | 25.958 ± 0.005 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1386 ± 0.4 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 4 |
Space group number | 76 |
Hermann-Mauguin space group symbol | P 41 |
Hall space group symbol | P 4w |
Residual factor for all reflections | 0.0306 |
Residual factor for significantly intense reflections | 0.0295 |
Weighted residual factors for significantly intense reflections | 0.0697 |
Weighted residual factors for all reflections included in the refinement | 0.0706 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.07 |
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/1513399.html
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