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Information card for entry 4032567
Preview
Coordinates | 4032567.cif |
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Original paper (by DOI) | HTML |
Formula | C36 H36 N2 O8 |
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Calculated formula | C36 H36 N2 O8 |
SMILES | [C@@H]12c3c(cccc3)N([C@@H]([C@H]1c1c(N([C@H]2c2cc(c(cc2)OC)OC)C(=O)OC)cccc1)c1cc(c(cc1)OC)OC)C(=O)OC |
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 | 9.2055 ± 0.0003 Å |
b | 8.1914 ± 0.0002 Å |
c | 20.5255 ± 0.0005 Å |
α | 90° |
β | 100.576 ± 0.003° |
γ | 90° |
Cell volume | 1521.45 ± 0.07 Å3 |
Cell temperature | 144 ± 1 K |
Ambient diffraction temperature | 144 ± 1 K |
Number of distinct elements | 4 |
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 | 0.0489 |
Residual factor for significantly intense reflections | 0.0439 |
Weighted residual factors for significantly intense reflections | 0.1161 |
Weighted residual factors for all reflections included in the refinement | 0.1227 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4032567.html
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Users of the data should acknowledge the original authors of the
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