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Information card for entry 4516293
Preview
Coordinates | 4516293.cif |
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Original paper (by DOI) | HTML |
Formula | C20 H10 F4 I2 |
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Calculated formula | C20 H10 F4 I2 |
SMILES | c1ccc(cc1)C#Cc1ccccc1.c1(c(I)c(c(c(I)c1F)F)F)F |
Title of publication | Tipping the Balance with the Aid of Stoichiometry: Room Temperature Phosphorescence versus Fluorescence in Organic Cocrystals |
Authors of publication | d’Agostino, Simone; Grepioni, Fabrizia; Braga, Dario; Ventura, Barbara |
Journal of publication | Crystal Growth & Design |
Year of publication | 2015 |
Journal volume | 15 |
Journal issue | 4 |
Pages of publication | 2039 |
a | 13.1337 ± 0.0012 Å |
b | 5.7484 ± 0.0005 Å |
c | 12.8992 ± 0.0011 Å |
α | 90° |
β | 101.08 ± 0.008° |
γ | 90° |
Cell volume | 955.71 ± 0.15 Å3 |
Cell temperature | 295 ± 2 K |
Ambient diffraction temperature | 295 ± 2 K |
Number of distinct elements | 4 |
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 | 0.0512 |
Residual factor for significantly intense reflections | 0.0354 |
Weighted residual factors for significantly intense reflections | 0.0606 |
Weighted residual factors for all reflections included in the refinement | 0.068 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.102 |
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/4516293.html
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Users of the data should acknowledge the original authors of the
structural data.