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Information card for entry 4108083
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Coordinates | 4108083.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | milpp02 |
---|---|
Formula | C24 H18 N6 |
Calculated formula | C24 H18 N6 |
SMILES | n1c(C2CC(CC(C2)c2nccc(c2)C#N)c2nccc(c2)C#N)cc(cc1)C#N |
Title of publication | Selective Recognition of Alkyl Pyranosides in Protic and Aprotic Solvents |
Authors of publication | Prakash B. Palde; Peter C. Gareiss; Benjamin L. Miller |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2008 |
Journal volume | 130 |
Pages of publication | 9566 - 9573 |
a | 4.896 ± 0.0013 Å |
b | 39.526 ± 0.01 Å |
c | 21.594 ± 0.006 Å |
α | 90° |
β | 94.161 ± 0.005° |
γ | 90° |
Cell volume | 4167.8 ± 1.9 Å3 |
Cell temperature | 100 ± 0.1 K |
Ambient diffraction temperature | 100 ± 0.1 K |
Number of distinct elements | 3 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.1347 |
Residual factor for significantly intense reflections | 0.0656 |
Weighted residual factors for significantly intense reflections | 0.1287 |
Weighted residual factors for all reflections included in the refinement | 0.15 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.981 |
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/4108083.html
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Users of the data should acknowledge the original authors of the
structural data.