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Information card for entry 7246311
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Coordinates | 7246311.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C46 H67 Br3 N2 O2 |
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Calculated formula | C46 H67 Br3 N2 O2 |
Title of publication | Halogen-bonded liquid-crystalline complexes formed from 4-alkoxyphenylpyridines with iodine and with interhalogens |
Authors of publication | McAllister, Linda J.; Taylor, James; Pridmore, Natalie E.; McEllin, Alice J.; Whitwood, Adrian C.; Karadakov, Peter B.; Bruce, Duncan W. |
Journal of publication | CrystEngComm |
Year of publication | 2023 |
Journal volume | 25 |
Journal issue | 11 |
Pages of publication | 1683 - 1692 |
a | 28.1904 ± 0.0012 Å |
b | 9.1296 ± 0.0002 Å |
c | 17.0705 ± 0.0006 Å |
α | 90° |
β | 98.313 ± 0.004° |
γ | 90° |
Cell volume | 4347.2 ± 0.3 Å3 |
Cell temperature | 110.05 ± 0.1 K |
Ambient diffraction temperature | 110.05 ± 0.1 K |
Number of distinct elements | 5 |
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 | 0.0715 |
Residual factor for significantly intense reflections | 0.0393 |
Weighted residual factors for significantly intense reflections | 0.0798 |
Weighted residual factors for all reflections included in the refinement | 0.0919 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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/7246311.html
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structural data.