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Information card for entry 4501919
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Coordinates | 4501919.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | Complex between N,N-dimethylaminopyridine and 1,4-diethynylbenzene |
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Formula | C24 H26 N4 |
Calculated formula | C24 H26 N4 |
SMILES | c1cc(ccn1)N(C)C.c1c(C#C)ccc(c1)C#C.c1cc(ccn1)N(C)C |
Title of publication | Role of sp-C−H—N Hydrogen Bonding in Crystal Engineering |
Authors of publication | Bosch, Eric |
Journal of publication | Crystal Growth & Design |
Year of publication | 2010 |
Journal volume | 10 |
Journal issue | 8 |
Pages of publication | 3808 |
a | 7.6999 ± 0.0008 Å |
b | 7.7805 ± 0.0009 Å |
c | 9.6743 ± 0.0011 Å |
α | 101.768 ± 0.001° |
β | 110.567 ± 0.001° |
γ | 97.192 ± 0.001° |
Cell volume | 518.84 ± 0.1 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 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 | 0.0406 |
Residual factor for significantly intense reflections | 0.035 |
Weighted residual factors for significantly intense reflections | 0.0864 |
Weighted residual factors for all reflections included in the refinement | 0.0922 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
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/4501919.html
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Users of the data should acknowledge the original authors of the
structural data.