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Information card for entry 7056066
Preview
Coordinates | 7056066.cif |
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Original paper (by DOI) | HTML |
Formula | C42 H40 N2 S4 |
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Calculated formula | C42 H40 N2 S4 |
SMILES | C1(SC(=C(S1)SCCCCCC)SCCCCCC)=C1c2c(cc(cc2)C#Cc2cnccc2)c2c1ccc(c2)C#Cc1cnccc1 |
Title of publication | A self-assembled M2L4 cage incorporating electron-rich 9-(1,3-dithiol-2-ylidene)fluorene units |
Authors of publication | Croué, V.; Krykun, S.; Allain, M.; Morille, Y.; Aubriet, F.; Carré, V.; Voitenko, Z.; Goeb, S.; Sallé, M. |
Journal of publication | New J. Chem. |
Year of publication | 2017 |
Journal volume | 41 |
Journal issue | 9 |
Pages of publication | 3238 |
a | 37.5699 ± 0.0007 Å |
b | 37.5699 ± 0.0007 Å |
c | 5.3064 ± 0.0001 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 7490 ± 0.2 Å3 |
Cell temperature | 293 ± 0.1 K |
Ambient diffraction temperature | 293 ± 0.1 K |
Number of distinct elements | 4 |
Space group number | 85 |
Hermann-Mauguin space group symbol | P 4/n :2 |
Hall space group symbol | -P 4a |
Residual factor for all reflections | 0.0944 |
Residual factor for significantly intense reflections | 0.0727 |
Weighted residual factors for significantly intense reflections | 0.205 |
Weighted residual factors for all reflections included in the refinement | 0.2286 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 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/7056066.html
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Users of the data should acknowledge the original authors of the
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