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Information card for entry 4033593
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 4033593.cif |
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Original paper (by DOI) | HTML |
Formula | C32 H24 O3 |
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Calculated formula | C32 H24 O3 |
SMILES | c12c(cc(cc2)OC)c(c(c2c1Cc1c2cccc1)c1c(C=O)cccc1)c1ccc(OC)cc1 |
Title of publication | Reactions of Anodically Generated Methoxystilbene Cation Radicals: The Influence of Ortho-Substituted Vinyl and Formyl Groups. |
Authors of publication | Chong, Kam-Weng; Thomas, Noel F.; Low, Yun-Yee; Kam, Toh-Seok |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2019 |
Journal volume | 84 |
Journal issue | 11 |
Pages of publication | 7279 - 7290 |
a | 10.8576 ± 0.0003 Å |
b | 13.0152 ± 0.0004 Å |
c | 17.4505 ± 0.0005 Å |
α | 104.015 ± 0.002° |
β | 97.067 ± 0.002° |
γ | 96.925 ± 0.002° |
Cell volume | 2345.28 ± 0.12 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 | 0.2121 |
Residual factor for significantly intense reflections | 0.1297 |
Weighted residual factors for significantly intense reflections | 0.3583 |
Weighted residual factors for all reflections included in the refinement | 0.4175 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.287 |
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/4033593.html
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Users of the data should acknowledge the original authors of the
structural data.