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Information card for entry 4030083
Preview
Coordinates | 4030083.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C19 H26 N4 |
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Calculated formula | C19 H26 N4 |
SMILES | N(Nc1ccccc1)(c1ccccc1)/C(=N/C(C)C)NC(C)C |
Title of publication | Mechanistic Insights into N-N Bond Cleavage in Catalytic Guanylation Reactions between 1,2-Diarylhydrazines and Carbodiimides. |
Authors of publication | Xu, Ling; Wang, Yu-Chen; Ma, Wangyang; Zhang, Wen-Xiong; Xi, Zhenfeng |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2014 |
Journal volume | 79 |
Journal issue | 24 |
Pages of publication | 12004 - 12009 |
a | 9.0374 ± 0.0005 Å |
b | 9.8325 ± 0.0007 Å |
c | 11.6485 ± 0.0006 Å |
α | 65.718 ± 0.006° |
β | 83.584 ± 0.004° |
γ | 73.059 ± 0.005° |
Cell volume | 902.53 ± 0.11 Å3 |
Cell temperature | 180 ± 0.1 K |
Ambient diffraction temperature | 180 ± 0.1 K |
Number of distinct elements | 3 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0723 |
Residual factor for significantly intense reflections | 0.0536 |
Weighted residual factors for significantly intense reflections | 0.135 |
Weighted residual factors for all reflections included in the refinement | 0.1508 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4030083.html
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