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Information card for entry 7150684
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 7150684.cif |
---|---|
Original paper (by DOI) | HTML |
External links | ChemSpider |
Common name | (E)-Dimethyl 1-benzyl-3-(1,2-dimethoxycarbonylvinylthio)-2- methyl-4-phenyl-1,4-dihydroselenopheno(2,3-b)pyrazine-6,7-dicarboxylate |
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Formula | C30 H28 N2 O8 S Se |
Calculated formula | C30 H28 N2 O8 S Se |
SMILES | COC(=O)c1c(C(=O)OC)[se]c2c1n(c(C)c(n2c1ccccc1)S/C(=C/C(=O)OC)C(=O)OC)Cc1ccccc1 |
Title of publication | The [3 + 2] cycloaddition reaction of thiazole carbene-derived C-C-Se 1,3-dipoles: a concise and highly efficient strategy for the construction of multifunctional dihydroselenophenes and selenopheno[2,3-b]pyrazines |
Authors of publication | Zhang, Jian-Hong; Cheng, Ying |
Journal of publication | Organic & Biomolecular Chemistry |
Year of publication | 2009 |
Journal volume | 7 |
Journal issue | 16 |
Pages of publication | 3264 - 3270 |
a | 8.6334 ± 0.0001 Å |
b | 11.818 ± 0.0002 Å |
c | 15.316 ± 0.0002 Å |
α | 77.339 ± 0.001° |
β | 88.859 ± 0.001° |
γ | 89.677 ± 0.001° |
Cell volume | 1524.38 ± 0.04 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0483 |
Residual factor for significantly intense reflections | 0.0342 |
Weighted residual factors for significantly intense reflections | 0.0892 |
Weighted residual factors for all reflections included in the refinement | 0.0965 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
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/7150684.html
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Users of the data should acknowledge the original authors of the
structural data.