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Information card for entry 4029411
Preview
Coordinates | 4029411.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C36 H38 O8 |
---|---|
Calculated formula | C36 H38 O8 |
SMILES | c1(cc(c(cc1)OC)OC)[C@@H]1[C@H]2c3cc(c(cc3[C@H]([C@@H]2c2cc(c(cc2)OC)OC)c2cc(c(cc12)OC)OC)OC)OC.c1(cc(c(cc1)OC)OC)[C@H]1[C@@H]2c3cc(c(cc3[C@@H]([C@H]2c2cc(c(cc2)OC)OC)c2cc(c(cc12)OC)OC)OC)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 | 6.867 ± 0.002 Å |
b | 14.544 ± 0.005 Å |
c | 15.106 ± 0.005 Å |
α | 83.765 ± 0.005° |
β | 89.255 ± 0.006° |
γ | 89.174 ± 0.006° |
Cell volume | 1499.5 ± 0.8 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.2381 |
Residual factor for significantly intense reflections | 0.0728 |
Weighted residual factors for significantly intense reflections | 0.1311 |
Weighted residual factors for all reflections included in the refinement | 0.192 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.901 |
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/4029411.html
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Users of the data should acknowledge the original authors of the
structural data.