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Information card for entry 1507584
Preview
Coordinates | 1507584.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C17 H18 Br Cl |
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Calculated formula | C17 H18 Br Cl |
SMILES | c1(ccc(cc1)/C(=C\1CCCC21CCCC=C2)Cl)Br |
Title of publication | Facile Synthesis of Azaspirocycles via Iron Trichloride-Promoted Cyclization/Chlorination of Cyclic 8-Aryl-5-aza-5-tosyl-2-en-7-yn-1-ols. |
Authors of publication | Yeh, Ming-Chang P; Fang, Cheng-Wei; Lin, Hsin-Hui |
Journal of publication | Organic letters |
Year of publication | 2012 |
Journal volume | 14 |
Journal issue | 7 |
Pages of publication | 1830 - 1833 |
a | 6.3086 ± 0.0002 Å |
b | 8.4829 ± 0.0003 Å |
c | 14.951 ± 0.0008 Å |
α | 96.024 ± 0.002° |
β | 91.033 ± 0.002° |
γ | 101.932 ± 0.002° |
Cell volume | 777.85 ± 0.06 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 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 | 0.0961 |
Residual factor for significantly intense reflections | 0.0608 |
Weighted residual factors for significantly intense reflections | 0.1617 |
Weighted residual factors for all reflections included in the refinement | 0.1913 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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/1507584.html
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