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Information card for entry 4071860
Preview
Coordinates | 4071860.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C26 H37 B Cl3 N8 O7 P W |
---|---|
Calculated formula | C26 H37 B Cl3 N8 O7 P W |
SMILES | [W]123([P](C)(C)C)([n]4n(ccc4)[BH](n4[n]1ccc4)n1[n]2ccc1)(N=O)[CH]1[C@@H]2C(OC)=N[C@](OC)([CH]3=1)[C@@H]([C@H]2C(=O)OC)C(=O)OC.ClC(Cl)Cl.[W]123([P](C)(C)C)([n]4n(ccc4)[BH](n4[n]1ccc4)n1[n]2ccc1)(N=O)[CH]1[C@H]2C(OC)=N[C@@](OC)([CH]3=1)[C@H]([C@@H]2C(=O)OC)C(=O)OC.ClC(Cl)Cl |
Title of publication | Tungsten-Promoted Diels−Alder Cycloaddition of Pyridines: Dearomatization of 2,6-Dimethoxypyridine Generates a Potent 2-Azadiene Synthon |
Authors of publication | Kosturko, George W.; Graham, Peter M.; Myers, William H.; Smith, Timothy M.; Sabat, Michal; Harman, W. Dean |
Journal of publication | Organometallics |
Year of publication | 2008 |
Journal volume | 27 |
Journal issue | 17 |
Pages of publication | 4513 |
a | 11.5691 ± 0.0007 Å |
b | 13.0081 ± 0.0008 Å |
c | 23.9368 ± 0.0016 Å |
α | 90° |
β | 102.98 ± 0.001° |
γ | 90° |
Cell volume | 3510.3 ± 0.4 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 273 ± 2 K |
Number of distinct elements | 8 |
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 | 0.1099 |
Residual factor for significantly intense reflections | 0.0465 |
Weighted residual factors for significantly intense reflections | 0.0706 |
Weighted residual factors for all reflections included in the refinement | 0.0823 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.744 |
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/4071860.html
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