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Information card for entry 4029412
Preview
Coordinates | 4029412.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C32 H32 O5 |
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Calculated formula | C32 H32 O5 |
SMILES | c1(ccc(cc1)OC)[C@@H]1[C@@H](c2c(cccc2)OC)[C@H]([C@H](c2ccc(cc2)OC)O1)c1c(cccc1)OC |
Title of publication | Biomimetic oxidative dimerization of anodically generated stilbene radical cations: effect of aromatic substitution on product distribution and reaction pathways. |
Authors of publication | Hong, Fong-Jiao; Low, Yun-Yee; Chong, Kam-Weng; Thomas, Noel F.; Kam, Toh-Seok |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2014 |
Journal volume | 79 |
Journal issue | 10 |
Pages of publication | 4528 - 4543 |
a | 8.0506 ± 0.0003 Å |
b | 13.1393 ± 0.0006 Å |
c | 13.3586 ± 0.0006 Å |
α | 68.499 ± 0.002° |
β | 76.048 ± 0.003° |
γ | 76.844 ± 0.003° |
Cell volume | 1260.68 ± 0.1 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 | 0.0779 |
Residual factor for significantly intense reflections | 0.0472 |
Weighted residual factors for significantly intense reflections | 0.0962 |
Weighted residual factors for all reflections included in the refinement | 0.1073 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.873 |
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/4029412.html
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Users of the data should acknowledge the original authors of the
structural data.