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Information card for entry 1569566
Preview
Coordinates | 1569566.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C24 H10 F7 I2 N |
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Calculated formula | C24 H10 F7 I2 N |
Title of publication | The interplay between hydrogen and halogen bonding: substituent effects and their role in the hydrogen bond enhanced halogen bond. |
Authors of publication | Sun, Jiyu; Decato, Daniel A.; Bryantsev, Vyacheslav S.; John, Eric A.; Berryman, Orion B. |
Journal of publication | Chemical science |
Year of publication | 2023 |
Journal volume | 14 |
Journal issue | 33 |
Pages of publication | 8924 - 8935 |
a | 7.3702 ± 0.0007 Å |
b | 18.1535 ± 0.0018 Å |
c | 34.027 ± 0.003 Å |
α | 90° |
β | 94.009 ± 0.002° |
γ | 90° |
Cell volume | 4541.5 ± 0.7 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 5 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0556 |
Residual factor for significantly intense reflections | 0.0404 |
Weighted residual factors for significantly intense reflections | 0.0634 |
Weighted residual factors for all reflections included in the refinement | 0.0667 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.183 |
Diffraction radiation probe | x-ray |
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/1569566.html
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Users of the data should acknowledge the original authors of the
structural data.