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Information card for entry 4107715
Preview
Coordinates | 4107715.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C19 H19 Br O2 |
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Calculated formula | C19 H19 Br O2 |
SMILES | Brc1ccc([C@@H]2[C@@H]3CO[C@@H](C3)[C@@](O)(C2)c2ccccc2)cc1.Brc1ccc([C@H]2[C@H]3CO[C@H](C3)[C@](O)(C2)c2ccccc2)cc1 |
Title of publication | Tandem Michael Addition/Ylide Epoxidation for the Synthesis of Highly Functionalized Cyclohexadiene Epoxide Derivatives |
Authors of publication | Qing-Gang Wang; Xian-Ming Deng; Ben-Hu Zhu; Long-Wu Ye; Xiu-Li Sun; Chuan-Ying Li; Chun-Yin Zhu; Qi Shen; Yong Tang |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2008 |
Journal volume | 130 |
Pages of publication | 5408 - 5409 |
a | 6.2797 ± 0.0015 Å |
b | 24.896 ± 0.006 Å |
c | 10.252 ± 0.002 Å |
α | 90° |
β | 93.604 ± 0.004° |
γ | 90° |
Cell volume | 1599.6 ± 0.6 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 9 |
Hermann-Mauguin space group symbol | C 1 c 1 |
Hall space group symbol | C -2yc |
Residual factor for all reflections | 0.0809 |
Residual factor for significantly intense reflections | 0.0618 |
Weighted residual factors for significantly intense reflections | 0.1451 |
Weighted residual factors for all reflections included in the refinement | 0.1785 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.004 |
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/4107715.html
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