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Information card for entry 1543160
Preview
Coordinates | 1543160.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C26 H20 O |
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Calculated formula | C26 H20 O |
SMILES | c12c(cccc1)[C@@]1(c3ccccc3C(=O)C=C1)[C@@H](C2)/C=C/c1ccccc1.c12c(cccc1)[C@]1(c3ccccc3C(=O)C=C1)[C@H](C2)/C=C/c1ccccc1 |
Title of publication | Highly Chemo- and Regioselective Construction of Spirocarbocycles by a Pd(0)-Catalyzed Dearomatization of Phenol-Based Biaryls with 1,3-Dienes. |
Authors of publication | Luo, Lei; Zheng, Huayu; Liu, Jingjing; Wang, Hui; Wang, Yaoyu; Luan, Xinjun |
Journal of publication | Organic letters |
Year of publication | 2016 |
Journal volume | 18 |
Journal issue | 9 |
Pages of publication | 2082 - 2085 |
a | 8.8 ± 0.006 Å |
b | 10.295 ± 0.007 Å |
c | 21.034 ± 0.014 Å |
α | 90.156 ± 0.012° |
β | 93.24 ± 0.012° |
γ | 91.754 ± 0.012° |
Cell volume | 1902 ± 2 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 3 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1769 |
Residual factor for significantly intense reflections | 0.1107 |
Weighted residual factors for significantly intense reflections | 0.298 |
Weighted residual factors for all reflections included in the refinement | 0.3445 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.988 |
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/1543160.html
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