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Information card for entry 1556045
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 1556045.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C19 H20 O3 |
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Calculated formula | C19 H20 O3 |
SMILES | O(Cc1ccccc1)CC[C@H]1[C@@H](OC(=O)C1)c1ccccc1 |
Title of publication | Copper(I)-Catalyzed Stereo- and Chemoselective Borylative Radical Cyclization of Alkyl Halides Bearing an Alkene Moiety. |
Authors of publication | Iwamoto, Hiroaki; Akiyama, Sota; Hayama, Keiichi; Ito, Hajime |
Journal of publication | Organic letters |
Year of publication | 2017 |
Journal volume | 19 |
Journal issue | 10 |
Pages of publication | 2614 - 2617 |
a | 17.9303 ± 0.0008 Å |
b | 6.8625 ± 0.0003 Å |
c | 13.4226 ± 0.0006 Å |
α | 90° |
β | 99.456 ± 0.003° |
γ | 90° |
Cell volume | 1629.16 ± 0.13 Å3 |
Cell temperature | 123 K |
Ambient diffraction temperature | 123 K |
Number of distinct elements | 3 |
Space group number | 5 |
Hermann-Mauguin space group symbol | C 1 2 1 |
Hall space group symbol | C 2y |
Residual factor for all reflections | 0.0812 |
Residual factor for significantly intense reflections | 0.0395 |
Weighted residual factors for significantly intense reflections | 0.077 |
Weighted residual factors for all reflections included in the refinement | 0.1104 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.17 |
Diffraction radiation wavelength | 1.54187 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/1556045.html
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