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Information card for entry 7115937
Preview
Coordinates | 7115937.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C48 H30 |
---|---|
Calculated formula | C48 H30 |
SMILES | c1(cc(cc(c1)C#Cc1ccc(cc1)c1ccccc1)C#Cc1ccc(cc1)c1ccccc1)C#Cc1ccc(cc1)c1ccccc1 |
Title of publication | Bestowing structure upon the pores of a supramolecular network |
Authors of publication | Baharan Karamzadeh; Thomas Eaton; Izabela Cebula; David Munoz Torres; Markus Neuburger; Marcel Mayor; Manfred Buck |
Journal of publication | Chem.Commun. |
Year of publication | 2014 |
Journal volume | 50 |
Pages of publication | 14175 |
a | 9.6393 ± 0.0013 Å |
b | 10.6477 ± 0.0014 Å |
c | 32.761 ± 0.004 Å |
α | 90° |
β | 96.789 ± 0.003° |
γ | 90° |
Cell volume | 3338.9 ± 0.7 Å3 |
Cell temperature | 123 K |
Ambient diffraction temperature | 123 K |
Number of distinct elements | 2 |
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 | 0.0736 |
Residual factor for significantly intense reflections | 0.0524 |
Weighted residual factors for all reflections | 0.0976 |
Weighted residual factors for significantly intense reflections | 0.0542 |
Weighted residual factors for all reflections included in the refinement | 0.0479 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.1097 |
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/7115937.html
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Users of the data should acknowledge the original authors of the
structural data.