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Information card for entry 1506533
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Coordinates | 1506533.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | 4mepyox-ICCCCI |
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Chemical name | 1-4 Co-crystal |
Formula | C18 H14 I2 N4 O2 |
Calculated formula | C18 H14 I2 N4 O2 |
Title of publication | Designed cocrystals based on the pyridine-iodoalkyne halogen bond. |
Authors of publication | Goroff, Nancy S.; Curtis, Sean M.; Webb, Jeffrey A.; Fowler, Frank W.; Lauher, Joseph W. |
Journal of publication | Organic letters |
Year of publication | 2005 |
Journal volume | 7 |
Journal issue | 10 |
Pages of publication | 1891 - 1893 |
a | 5.0225 ± 0.0014 Å |
b | 13.367 ± 0.004 Å |
c | 16.614 ± 0.005 Å |
α | 111.708 ± 0.004° |
β | 96.629 ± 0.005° |
γ | 90.382 ± 0.004° |
Cell volume | 1027.9 ± 0.5 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.137 |
Residual factor for significantly intense reflections | 0.0633 |
Weighted residual factors for significantly intense reflections | 0.144 |
Weighted residual factors for all reflections included in the refinement | 0.1719 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.885 |
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/1506533.html
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