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Information card for entry 4068689
Preview
Coordinates | 4068689.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C19 H30 Al N5 |
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Calculated formula | C19 H30 Al N5 |
SMILES | [Al]1(C)(C)N(C(C)C)C(NC(C)C)=[N]1c1cc(C)nn1c1ccccc1 |
Title of publication | Alkyl Aluminum-Catalyzed Addition of Amines to Carbodiimides: A Highly Efficient Route to Substituted Guanidines |
Authors of publication | Zhang, Wen-Xiong; Li, Dongzhen; Wang, Zitao; Xi, Zhenfeng |
Journal of publication | Organometallics |
Year of publication | 2009 |
Journal volume | 28 |
Journal issue | 3 |
Pages of publication | 882 |
a | 15.5417 ± 0.0016 Å |
b | 16.092 ± 0.0017 Å |
c | 19.0959 ± 0.0019 Å |
α | 90° |
β | 112.376 ± 0.002° |
γ | 90° |
Cell volume | 4416.2 ± 0.8 Å3 |
Cell temperature | 163 ± 2 K |
Ambient diffraction temperature | 163 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.1239 |
Residual factor for significantly intense reflections | 0.0534 |
Weighted residual factors for significantly intense reflections | 0.0775 |
Weighted residual factors for all reflections included in the refinement | 0.0853 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.997 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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