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Information card for entry 4084507
Preview
Coordinates | 4084507.cif |
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Original paper (by DOI) | HTML |
Formula | C27 H26 Cl2 N2 |
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Calculated formula | C27 H26 Cl2 N2 |
SMILES | C(=N\c1c(cccc1C(C)C)C(C)C)(C#Cc1ccccc1)/Nc1cc(c(cc1)Cl)Cl |
Title of publication | Rare-Earth-Metal-Catalyzed Addition of Terminal Monoalkynes and Dialkynes with Aryl-Substituted Symmetrical or Unsymmetrical Carbodiimides |
Authors of publication | Zhang, Fangjun; Zhang, Jie; Zhang, Yin; Hong, Jianquan; Zhou, Xigeng |
Journal of publication | Organometallics |
Year of publication | 2014 |
Journal volume | 33 |
Journal issue | 21 |
Pages of publication | 6186 |
a | 8.61 ± 0.004 Å |
b | 12.078 ± 0.005 Å |
c | 13.503 ± 0.006 Å |
α | 104.48 ± 0.005° |
β | 107.959 ± 0.005° |
γ | 105.15 ± 0.005° |
Cell volume | 1202.9 ± 0.9 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 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 | 0.1091 |
Residual factor for significantly intense reflections | 0.0767 |
Weighted residual factors for significantly intense reflections | 0.2058 |
Weighted residual factors for all reflections included in the refinement | 0.2198 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.002 |
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/4084507.html
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