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Information card for entry 1555917
Preview
Coordinates | 1555917.cif |
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Original paper (by DOI) | HTML |
Formula | C19 H26 N2 O |
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Calculated formula | C19 H26 N2 O |
SMILES | N(=C1/C(=C(C(=O)N1C(C)(C)C)C)c1ccccc1)/C(C)(C)C |
Title of publication | Palladium-Catalyzed Multicomponent Reaction (MCR) of Propargylic Carbonates with Isocyanides. |
Authors of publication | Peng, Jianwen; Gao, Yang; Hu, Weigao; Gao, Yinglan; Hu, Miao; Wu, Wanqing; Ren, Yanwei; Jiang, Huanfeng |
Journal of publication | Organic letters |
Year of publication | 2016 |
Journal volume | 18 |
Journal issue | 22 |
Pages of publication | 5924 - 5927 |
a | 8.7863 ± 0.0004 Å |
b | 19.6959 ± 0.0008 Å |
c | 19.81 ± 0.0007 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3428.2 ± 0.2 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.0614 |
Residual factor for significantly intense reflections | 0.0507 |
Weighted residual factors for significantly intense reflections | 0.1404 |
Weighted residual factors for all reflections included in the refinement | 0.1619 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.091 |
Diffraction radiation wavelength | 1.54178 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/1555917.html
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