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Information card for entry 4080996
Preview
Coordinates | 4080996.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C20 H24 N4 |
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Calculated formula | C20 H24 N4 |
SMILES | N(/N=C(/NC(C)(C)C)NCC)=C1c2ccccc2c2ccccc12 |
Title of publication | Titanium-Catalyzed Hydrohydrazination of Carbodiimides |
Authors of publication | Schweizer, Peter D.; Wadepohl, Hubert; Gade, Lutz H. |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 13 |
Pages of publication | 3697 |
a | 12.04507 ± 0.00012 Å |
b | 7.06049 ± 0.00008 Å |
c | 20.7577 ± 0.0003 Å |
α | 90° |
β | 100.421 ± 0.0012° |
γ | 90° |
Cell volume | 1736.2 ± 0.04 Å3 |
Cell temperature | 115.01 ± 0.1 K |
Ambient diffraction temperature | 115.01 ± 0.1 K |
Number of distinct elements | 3 |
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 | 0.0348 |
Residual factor for significantly intense reflections | 0.0323 |
Weighted residual factors for significantly intense reflections | 0.0824 |
Weighted residual factors for all reflections included in the refinement | 0.0847 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.5418 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/4080996.html
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