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Information card for entry 7246306
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Coordinates | 7246306.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C15 H17 Cl I N O |
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Calculated formula | C15 H17 Cl I N O |
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 | 7.8428 ± 0.0003 Å |
b | 8.7456 ± 0.0004 Å |
c | 11.7685 ± 0.0006 Å |
α | 81.274 ± 0.004° |
β | 82.709 ± 0.004° |
γ | 72.451 ± 0.004° |
Cell volume | 757.9 ± 0.06 Å3 |
Cell temperature | 110.05 ± 0.1 K |
Ambient diffraction temperature | 110.05 ± 0.1 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.028 |
Residual factor for significantly intense reflections | 0.0235 |
Weighted residual factors for significantly intense reflections | 0.0434 |
Weighted residual factors for all reflections included in the refinement | 0.0456 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
Diffraction radiation wavelength | 0.71071 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/7246306.html
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structural data.