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Information card for entry 7157729
Preview
Coordinates | 7157729.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C12.8 H8.8 N0.4 O0.4 |
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Calculated formula | C12.8 H8.8 N0.4 O0.4 |
Title of publication | Rhodium-catalyzed synthesis of substituted isoquinolones <i>via</i> a selective decarbonylation/alkyne insertion cascade of phthalimides. |
Authors of publication | Xu, Fen; Zhu, Wen-Jing; Wang, Juan; Ma, Qi; Shen, Li-Jing |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2020 |
Journal volume | 18 |
Journal issue | 40 |
Pages of publication | 8219 - 8223 |
a | 9.6741 ± 0.001 Å |
b | 10.8198 ± 0.0012 Å |
c | 12.5635 ± 0.0011 Å |
α | 69.234 ± 0.009° |
β | 89.878 ± 0.008° |
γ | 72.178 ± 0.01° |
Cell volume | 1162.2 ± 0.2 Å3 |
Cell temperature | 295.44 ± 0.1 K |
Ambient diffraction temperature | 295.44 ± 0.1 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1907 |
Residual factor for significantly intense reflections | 0.1657 |
Weighted residual factors for significantly intense reflections | 0.4066 |
Weighted residual factors for all reflections included in the refinement | 0.4291 |
Goodness-of-fit parameter for all reflections included in the refinement | 2.237 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
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/7157729.html
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Users of the data should acknowledge the original authors of the
structural data.