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Information card for entry 4029417
Preview
Coordinates | 4029417.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C32 H31 N O |
---|---|
Calculated formula | C32 H31 N O |
SMILES | c12ccc(cc1[C@@H](c1ccc(cc1)C)[C@@H]([C@H]([C@H]2NC(=O)C)c1ccccc1)c1ccccc1)C.c12ccc(cc1[C@H](c1ccc(cc1)C)[C@H]([C@@H]([C@@H]2NC(=O)C)c1ccccc1)c1ccccc1)C |
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 | 11.173 ± 0.008 Å |
b | 25.204 ± 0.019 Å |
c | 9.16 ± 0.007 Å |
α | 90° |
β | 102.144 ± 0.013° |
γ | 90° |
Cell volume | 2522 ± 3 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.3569 |
Residual factor for significantly intense reflections | 0.0914 |
Weighted residual factors for significantly intense reflections | 0.175 |
Weighted residual factors for all reflections included in the refinement | 0.2941 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.86 |
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/4029417.html
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Users of the data should acknowledge the original authors of the
structural data.