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Information card for entry 7041421
Preview
Coordinates | 7041421.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C32 H44 B20 |
---|---|
Calculated formula | C32 H44 B20 |
SMILES | [BH]1234[BH]567[BH]89%10[BH]%11%12%13[C]258([C]23%11([BH]351[BH]1%132[BH]29%12[BH]831[BH]465[BH]7%1028)c1ccccc1)Cc1ccc(cc1)/C=C/c1ccc(C[C]2345[BH]678[BH]9%102[BH]2%113[BH]3%124[C]458([BH]586[BH]679[BH]7%102[BH]2%113[BH]%1245[BH]8672)c2ccccc2)cc1 |
Title of publication | Carborane-stilbene dyads: the influence of substituents and cluster isomers on photoluminescence properties. |
Authors of publication | Ferrer-Ugalde, A; Cabrera-González, J; Juárez-Pérez, E J; Teixidor, F.; Pérez-Inestrosa, E; Montenegro, J. M.; Sillanpää, R; Haukka, M.; Núñez, R |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2017 |
Journal volume | 46 |
Journal issue | 7 |
Pages of publication | 2091 - 2104 |
a | 14.4906 ± 0.0003 Å |
b | 12.2981 ± 0.0002 Å |
c | 10.3844 ± 0.0001 Å |
α | 90° |
β | 91.157 ± 0.001° |
γ | 90° |
Cell volume | 1850.19 ± 0.05 Å3 |
Cell temperature | 123 ± 2 K |
Ambient diffraction temperature | 123 ± 2 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 | 0.0703 |
Residual factor for significantly intense reflections | 0.0627 |
Weighted residual factors for significantly intense reflections | 0.1735 |
Weighted residual factors for all reflections included in the refinement | 0.1839 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
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/7041421.html
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Users of the data should acknowledge the original authors of the
structural data.