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Information card for entry 7234601
Preview
Coordinates | 7234601.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C16 H11 Cl2 I N |
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Calculated formula | C16 H11 Cl2 I N |
Title of publication | Regioselective [2 + 2] cycloaddition reaction within a pair of polymorphic co-crystals based upon halogen bonding interactions |
Authors of publication | Bosch, Eric; Kruse, Samantha J.; Reinheimer, Eric W.; Rath, Nigam P.; Groeneman, Ryan H. |
Journal of publication | CrystEngComm |
Year of publication | 2019 |
Journal volume | 21 |
Journal issue | 43 |
Pages of publication | 6671 |
a | 5.732 ± 0.0003 Å |
b | 11.2839 ± 0.0006 Å |
c | 12.309 ± 0.0007 Å |
α | 83.794 ± 0.002° |
β | 82.313 ± 0.002° |
γ | 77.034 ± 0.002° |
Cell volume | 766.35 ± 0.07 Å3 |
Cell temperature | 290 ± 2 K |
Ambient diffraction temperature | 290 ± 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 | 0.0638 |
Residual factor for significantly intense reflections | 0.037 |
Weighted residual factors for significantly intense reflections | 0.066 |
Weighted residual factors for all reflections included in the refinement | 0.085 |
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/7234601.html
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structural data.