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Information card for entry 4032570
Preview
Coordinates | 4032570.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C42 H34 N4 O10 S2 |
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Calculated formula | C42 H34 N4 O10 S2 |
SMILES | c1(ccc(cc1)OC)[C@H]1[C@@H]2c3ccccc3N([C@H](c3ccc(cc3)OC)[C@H]2c2c(N1S(=O)(=O)c1c(N(=O)=O)cccc1)cccc2)S(=O)(=O)c1c(N(=O)=O)cccc1 |
Title of publication | Electrochemically Mediated Oxidative Transformations of Substituted 4-Methoxystilbenes: Effect of Ortho-Substituted Nucleophilic Groups. |
Authors of publication | Chong, Kam-Weng; Hong, Fong-Jiao; Thomas, Noel F.; Low, Yun-Yee; Kam, Toh-Seok |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2017 |
Journal volume | 82 |
Journal issue | 12 |
Pages of publication | 6172 - 6191 |
a | 9.4911 ± 0.0002 Å |
b | 13.2075 ± 0.0002 Å |
c | 15.3206 ± 0.0003 Å |
α | 90° |
β | 94.468 ± 0.001° |
γ | 90° |
Cell volume | 1914.66 ± 0.06 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0727 |
Residual factor for significantly intense reflections | 0.0436 |
Weighted residual factors for significantly intense reflections | 0.0942 |
Weighted residual factors for all reflections included in the refinement | 0.1084 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.014 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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