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Information card for entry 7246257
Preview
Coordinates | 7246257.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C27 H18 Br4 F10 I N3 |
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Calculated formula | C27 H18 Br4 F10 I N3 |
Title of publication | Just at the limit: binding studies with neutral brominated terphenyl-derived halogen bond donors |
Authors of publication | Stoesser, Julian; Engelage, Elric; Belmonte, Debora; Huber, Stefan M. |
Journal of publication | CrystEngComm |
Year of publication | 2023 |
Journal volume | 25 |
Journal issue | 10 |
Pages of publication | 1501 - 1506 |
a | 20.3907 ± 0.0004 Å |
b | 7.6801 ± 0.0001 Å |
c | 42.938 ± 0.001 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 6724.2 ± 0.2 Å3 |
Cell temperature | 170 ± 2 K |
Ambient diffraction temperature | 169.99 ± 0.1 K |
Number of distinct elements | 6 |
Space group number | 57 |
Hermann-Mauguin space group symbol | P b c m |
Hall space group symbol | -P 2c 2b |
Residual factor for all reflections | 0.0501 |
Residual factor for significantly intense reflections | 0.0442 |
Weighted residual factors for significantly intense reflections | 0.1022 |
Weighted residual factors for all reflections included in the refinement | 0.1051 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.145 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7246257.html
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Users of the data should acknowledge the original authors of the
structural data.