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Information card for entry 7234604
Preview
Coordinates | 7234604.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C16 H11 Cl2 I N |
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Calculated formula | C16.072 H11.072 Cl1.9498 I1.0251 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 | 10.9466 ± 0.0005 Å |
b | 16.4851 ± 0.0007 Å |
c | 8.6575 ± 0.0003 Å |
α | 90° |
β | 96.0062 ± 0.0019° |
γ | 90° |
Cell volume | 1553.72 ± 0.11 Å3 |
Cell temperature | 290 ± 2 K |
Ambient diffraction temperature | 290 ± 2 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 | 0.1405 |
Residual factor for significantly intense reflections | 0.0662 |
Weighted residual factors for significantly intense reflections | 0.0704 |
Weighted residual factors for all reflections included in the refinement | 0.0794 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.082 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/7234604.html
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